The Ferryman

Dear Michael, Thanks, Respects and Inspiration to you (Michael Jackson)

Thanks Michael for all those great music videos in the 80's.  You were a leader, an innovator, doing completely new and great things back then.  You entertained us when we took a break from our studies in college in the early 80s, and tried out this new MTV experience at the time.  (It was much more interesting back then!)  You were a Thriller!

Respects to you Michael, we played and danced to your songs last night, and were not alone.

Inspiration Michael, if we can take inspiration from your tragedy and Childhood legacy you could not shake off, it is that we should take some more time to reach out to our family, friends and contacts.  Even if it is that business partner, don't just always email them, get on the Skype with them, talk and get some understanding, build some shared meaning, reach out and support. As you said:

You are not alone, I am here with you
Though you're far away, I am here to stay
You are not alone, I am here with you
Though we're far apart, You're always in my heart

And if you want to collaborate folks in this flatter world don't be alone and far away. Reach out!

The Ferryman

Schedule for InnovationWell and eCheminfo Autumn 2008 Community of Practice Meeting

I provide below a schedule for the upcoming InnovationWell and eCheminfo Community of Practice meetings at Bryn Mawr.

I also include a location map here which may be useful upon arrival:

Download bryn_mawr_campus_map_douglas_connect_meeting.pdf

[Please follow continuation here to view schedule.]

Innovation in Life Science & Healthcare R&D

This year's InnovationWell Autumn Community of Practice Meeting will take place 14-17 October 2008 at Bryn Mawr College, Bryn Mawr, Philadelphia, USA to discuss the following areas of Innovation in Life Science & Healthcare R&D:

Critical Path Advances in Drug Development, Innovation & Knowledge Management in R&D and Translational Medicine, Computational Biology, Predictive ADME, Predictive Toxicology, Metabolomics, Biomarkers, Systems Biology

Program Summary
Systems Biology, chaired by Keith Elliston (Genstruct)
Computational Biology, chaired by Debraj Guhathakurta (Merck)
Knowledge Management in Translational Medicine, David Bousfield (Ganesha Associates)
Applications of Metabolomics to Drug Discovery & Development, chaired by Bruce Kristal (Brigham and Women's Hospital)
Predictive ADME, chaired by Anthony E. Klon (Pharmacopeia Drug Discovery)
Predictive Toxicology, chaired by Artem Cherkasov (University of British Columbia)

Pre-Conference Workshop, 13 October 2008
Knowledge Management in R&D
chaired by John Conway (Accelrys) and Frank Hollinger (FRESH Directions Consulting)

Speakers
Keith Elliston (Genstruct), Debraj GuhaThakurta (Rosetta Inpharmatics, Merck & Co.), Stephen W. Edwards (U.S. Environmental Protection Agency), Paul McDonagh (Gene Network Sciences), Christopher M.L.S. Bouton (Pfizer), James R. Brown (GlaxoSmithKline), John Wilbanks (Creative Commons), Barry Bunin (Collaborative Drug Discovery), Michael Liebman (Windber Research Institute), Jerry Wright (Johns Hopkins Medical Institutions), Anastasia Christianson (AstraZeneca), James Golden (Science Applications International Corporation), John Speakman (National Cancer Institute), William Hayes (Biogen Idec), Andrew McMurry (Harvard Medical School), Eugene Clark (Partners Healthcare), Alvin Berger (Metabolon), John Newman (USDA), Bruce Kristal (Brigham and Women's Hospital), Anton Hopfinger (University of New Mexico), Heidi Einolf (Novartis), Yojiro Sakiyama (Pfizer), Olga Obrezanova (BioFocus DPI, UK), Anthony E. Klon (Pharmacopeia), Artem Cherkasov (University of British Columbia, Canada), Ann Richards (US EPA), Curt Breneman (RPI), Alex Tropsha (UNC), Barry Hardy (Douglas Connect), Weida Tong (FDA)

CFP
We invite contributed papers from members of academic, government research and commercial organizations on areas of new research and innovation relevant to innovation and knowledge management in the life sciences. The work presented should involve innovative new method development or application in the areas of systems biology, translational medicine, knowledge management, computational biology, metabolomics, predictive ADME, predictive toxicology or bioinformatics. Studies including experimental work in medicinal chemistry, screening, experimental toxicology, pre-clinical evaluation, lead optimisation and translational medicine are welcome.

Abstracts (300-500 words) should be submitted to innovationwell -[at]-douglasconnect.com by 31 July 2008, and be accompanied by a short biography of the presenting author (300-500 words). Abstracts approved by the scientific organizing committee will be selected for scheduling on the conference program and in meeting poster sessions. Authors will be notified of acceptance as soon as a review of submitted materials takes place and at the latest by 15 August 2008.

Bursary
Bursary Awards will be used to support the attendance of a selection of academic young investigators at the meeting and workshops. Applicants should be working in a relevant area of research related to life science, healthcare, and drug product discovery and development at the postdoctoral, graduate student and senior undergraduate levels.

To apply for the bursary please send an email with a) your abstract and biography (300-500 words each), b) your CV of 1-2 pages, c) a short description of your interests and career motivations related to R&D (300-500 words) to innovationwell -[at]- douglasconnect.com by 31 July 2008. The recipients of the bursary awards will be selected based on an evaluation of the quality and innovation of the described research and the potential positive impact of attendance at the meeting on their research and career progress. Authors will be notified of acceptance by 15 August 2008.

Poster Session
All InterAction Meeting registrants are eligible to present a Conference Poster. The Poster Sessions will take place in the evenings in Thomas Great Hall on campus, where refreshments and dinner are also served. Poster Abstracts (300-500 words) with Title, Institution, Authors and Contact Information should be submitted to barry.hardy -[at]-
douglasconnect.com Abstracts will be considered based on date of submission and quality, and will be reviewed and accepted as they are received. To be considered for the formal program, they should be submitted at the very latest by 31 August 2008.

Download Program Brochure as pdf:

Download InnovationWell-BM08-Final1.pdf

Contact:
Program: Dr. Barry Hardy, InnovationWell Community of Practice, Douglas Connect. Tel: +41 61 851 0170. barry.hardy -[at]- douglasconnect.com

Registration Enquiries: Nicki Douglas, Douglas Connect, Baermeggenweg 14, 4314 Zeiningen, Switzerland. Tel: +41 61 851 0461. InnovationWell -[at]- douglasconnect.com or please visit:

http://InnovationWell-BM810.eventsbot.com

InnovationWell meeting Computational Biology Translational Medicine Systems Biology ADME Predictive ADME Predictive Toxicology Innovative Medicines Community of Practice workshop conference management executive Bryn Mawr Philadelphia Critical Path biomarkers metabolomics toxicology personalised medicine KM Life Sciences Pharma Drug Discovery Drug Safety Research and Development Drug Development Healthcare Innovation Knowledge Management events

Emerging ICT Technologies for R&D Support

On the morning of 16 October 2007 as part of our InnovationWell workshop on Information, Communications, and Knowledge Management Support Systems for R&D (Bryn Mawr College, Philadelphia) we will hold an emerging technologies session featuring the presentation and discussion of a range of interesting software solutions.

Abstracts for the 6 presentations to be discussed are provided here:

(Please follow continuation to read)

InnovationWell Membership & Workshop Activity for 2007

During November I will be planning the program for the following InnovationWell workshop in Oxford (cross-industry sector) and InterAction Meeting in Bryn Mawr (life science/pharma/healthcare sector). Please contact me with your interests and proposals!

Knowledge Assessment & Performance Improvement of Collaborative Work and Innovation Activities
InnovationWell Workshop & Innovation Café, accompanied by pre-meeting
2 day hands-on workshop activities on collaborative systems and ELNs
20-22 June 2007, Oxford University, Oxford UK

Innovation in Life Science & Healthcare Research & Product Development
InnovationWell Community of Practice InterAction Meeting
15-18 October 2007, Bryn Mawr College, Philadelphia, PA, USA
Themes: FDA Critical Path Themes, Knowledge Management, Translational Research, Biomedical Informatics, Metabolomics, Biomarkers, Toxicology, Patient & Drug Safety

InnovationWell Gold membership
This entitles members to access InnovationWell meeting proceedings including audio, access to our Executive Insights reports from meeting and community of practice activities, and additional member discounts on meeting and training registration fees.

Download InnovationWell2007MembershipForm.pdf

Barry Hardy

Email: barry.hardy *[at]* douglasconnect.com

InnovationWell meeting workshop conference management executive Bryn Mawr Philadelphia Critical Pathbiomarkers metabolomics toxicology personalised medicine KM Life Sciences Pharma Drug Discovery Drug Safety Research and Development Drug Development Healthcare Innovation Knowledge Management events

Electronic Lab Notebooks and Knowledge Management in R&D

Please join us in Bryn Mawr on Tuesday 17 October 2006 to discuss the emerging roles of Knowledge Management and Electronic Laboratory Notebook solutions in managing multidisciplinary research activities, innovation and collaboration.  The Open Event will take place alongside our InnovationWell and eCheminfo Autumn InterAction Meetings.

Attendance at the Open Event & Knowledge Café involves no registration fee. However seated places are limited and will be restricted to a confirmed guest list. Please send an RSVP with your name and organisation via email to innovationwell [at] douglasconnect.com

Virtual proceedings from the Open Seminars in Bryn Mawr and the recent Open Event in Oxford, UK will also be made available later this Autumn to network members through the InnovationWell website.

InnovationWell Open Seminar & Knowledge Café

Knowledge Management and Electronic Laboratory Notebook Systems for Managing Research Knowledge, Supporting Collaboration and Driving Innovation

http://innovationwell.net/COMTY_conferenceopenevent/

16.00-21.00, Tuesday 17th October 2006, Thomas Great Hall
Bryn Mawr College, Philadelphia

Agenda

16.00 Welcome Coffee

16.30 Electronic Laboratory Notebook Presentations
Benchware Notebook: A True 'Enterprise-Class' ELN, Tamsin Mansley, Applications Scientist, Tripos

Symyx Discovery ELN: Re-use of Institutional Knowledge, John Bobo, Field Applications Scientist, Symyx

CERF - ELN Framework Requirements to Support Collaborative Multidisciplinary R&D, Jeff Spitzner, CSO, Rescentris

17.30 Open Seminars & Panel Discussion
Listen and discuss with a panel of experts their experiences in applying solutions to solve knowledge management in R&D problems.

17.30 Industry Perspectives on the Knowledge Management & Research Informatics Requirements for Supporting Drug Discovery & Development
Dennis Underwood, CEO, Praxeon and Peter Gates, Johnson & Johnson PR&D

Dennis Underwood will discuss the challenges of the complexity of data-types and problems associated with building models of understanding disease therapies that are based on inherently complex and variable biological systems. Peter Gates will discuss strategies for the automation of research activities in the mining of data, the planning and execution of experiments, and the reduction of observations to data.

18.00 Knowledge Management Perspectives on Support Systems for Research and Development
Michael Liebman, Director of the Windber Research Institute and Barry Hardy, Manager, InnovationWell Community of Practice

Michael Liebman will provide an overview of knowledge management approaches for enabling productivity and successful outcomes in clinical and translational research. Barry Hardy will discuss knowledge assessment approaches aimed at the continuous improvement of the innovation and performance of the R&D organisation and its support ELN systems.

18.30 Solutions Perspectives to Support Collaborative Multidisciplinary R&D
Jeff Spitzner, President & Chief Science Officer, Rescentris and John Bobo, Field Applications Scientist, Symyx

Jeff Spitzner will discuss the design and implementation of collaboration frameworks for the management of scientific research, and the role of semantic web technologies in record-keeping solutions that support the integrated R&D organization. John Bobo will discuss how configurations, integrations, and business rules help to make the scientist's interaction with an ELN into a seamless part of their everyday work.

19.00 Panel Discussion with Audience
The speakers and audience will discuss Electronic Laboratory Notebooks and their role in managing and supporting R&D in today’s complex multidisciplinary scientific environment.

19.30 Knowledge Café on Knowledge Management in R&D
Discuss and share your experiences with your peers on knowledge management challenges and solutions for supporting research and development activities. In this part of the program participants will spend time in small groups discussing their own experiences, needs and interests. Rotation of participants between different groups and tables will take place periodically.

20.30 Reception
Enjoy refreshments and network further with your peers.

Please also NOTE: The Forum on Comparing Virtual Screening Methods recently posted on by John Irwin (UCSF) and I at http://barryhardy.blogs.com/cheminfostream/2006/10/could_we_take_a.html will also take place 16.00 - 17.30 at this event.

We gratefully acknowledge the support of our event sponsors Tripos, Symyx, and Rescentris, for this Open Event and Community activity.

Barry Hardy

InnovationWell Program (16-19 October 2006)

Download innwprogrambrynmawr06final_web3.pdf

ELN Electronic Laboratory Notebook Electronic Lab Notebook InnovationWell meeting workshop conference management executive Bryn Mawr PhiladelphiaCritical Pathbiomarkers metabolomics toxicology personalised medicine KM Life Sciences Pharma Drug DiscoveryResearch and Development Drug Development Healthcare Innovation Knowledge Management events

eCheminfo Press Release (29 September 2006):  http://www.prweb.com/releases/2006/9/prweb443727.htm

InnovationWell Press Release (2 October 2006):  http://www.prweb.com/releases/2006/10/prweb444155.htm

Decision Support for Research & Development

The data created during drug discovery and development and from clinical research programs is great in volume and complicated in diversity.  Additionally, both biological systems and chemical interventions in them are complex, as are the human, medical, industry and regulatory environments in which programs are created and carried out.  Hence gathering together and processing all relevant sources of knowledge at any time in which a decision needs to be made is by its nature very difficult. 

Selection and visualisation of the most relevant data required for insights and decisions is a challenging area to which increasingly sophisticated analytics tools are being applied.  Concept mapping, knowledge maps, natural language processing of unstructured information, semantic classification and ontologies, and sophisticated visualisation tools all offer approaches which can be helpful in this area.  Nevertheless, many knowledge management issues remain challenging in both the management and availability of information and in the selection and use of processing tools.

Systems biology approaches attempt to unify diverse data and models about complex cell behaviour so as to enable the study of a complex subject such as cell or organ toxicity.  Modern analytics tools and data mining provide researchers tools to interactively explore such biological information and to test hypotheses about their data, and to ask new and interesting questions arising from it.

Risk management has been seen by regulators and industry as an increasingly important methodology and the incorporation of risk-based approaches into decision making around product safety issues and clinical trial management is a current vital area of practice development. 

Electronic lab notebooks systems are currently offering a better start in how we initially record our experimental scientific information and such improved initial record keeping and semantic frameworks offer the potential for improved knowledge transfer and re-use at subsequent decision making points.

On Tuesday 17th October 2006 we will discuss these important current topics in decision making as applied to drug discovery and development and clinical research at the InnovationWell Community of Practice meeting at Bryn Mawr College, Philadelphia.  In the addition to the morning conference session, workshops will run in the afternoons and from 4pm we will runs a series of demonstrations, a panel discussion and a knowledge café into the evening hours to share insights on problems and solutions in this complex but important area.

I provide below a description of some of the presentations and workshops.

Barry Hardy

Decision Support for Research & Development
http://www.innovationwell.net/COMTY_decisionsupport/
InterAction Meeting Session, Bryn Mawr, Philadelphia, USA,
Tuesday, 17 October 2006
chaired by Dennis Underwood (Praxeon)

The Role of Systems Biology and Knowledge Management in Advancing Toxicology Knowledge in Big Pharma

Peter V. Henstock, Pfizer

This talk will focus on two key research areas of the Systems Biology group at the Pfizer Research Technology Center in Cambridge, Massachusetts. The first area involves efforts to identify indications of hepatic injury using a set of cell-based assays. Panels of compounds with known toxic endpoints have been assembled and screened to characterize hepatic toxicity using a variety of assays. The second area is an effort to model the p38 signaling pathway associated with rheumatoid arthritis. A combination of literature mining, cell-based assays, and mathematical modeling of the pathway has been used with the goal of better understanding the associated toxicities. The approaches and challenges of both areas will be presented.

Case Studies in Using Interactive Visual Analytics to Accelerate Drug Development

David Mosenkis, Spotfire

Pharmaceutical R&D is a data-intensive process. While computer-assisted instruments and analysis tools are ubiquitous at all phases, research teams are often compelled to make key decisions based on limited analysis and reports that reflect only discrete islands of information in a vast sea of data. By integrating access to disparate types of data, and by applying interactive visualization and exploration of information, decision makers can gain the insights needed to make better-informed decisions. Visual analytics is an approach that allows users to interactively explore information, form and test hypotheses, and get immediate answers to questions about their data.

We present examples from several stages of the R&D process that illustrate how visual analytics can help researchers make better decisions earlier in the process:
* High-throughput screening: diagnosing systematic quality problems
* Lead optimization: discovering correlations between structure, biological activity and ADME properties
* Clinical trials: uncovering early indicators of drug safety issues

We conclude with an overview of the Spotfire DecisionSite platform, and show how it enables improved decision-making at all levels of the enterprise.

Searching for Answers: the game of twenty questions

Dennis Underwood, Praxeon

Curing human disease is one of the most challenging of human endeavors. Despite advances in drug development and our deeper understanding of medicine it has become increasingly difficult to bring new drugs to market. From discovery to market, drug development is an odyssey through an information maze; every path to success is obscured by dead-ends. Selecting a new disease therapy or extending current indications is a difficult process involving decisions about the likelihood of success, competition challenges and the value of the opportunity to the current portfolio.

Despite the dramatic increase in data and information generation, it has become increasingly challenging to bring new drugs to market. Paradoxically, the mass of new information has served to confound rather than to enlighten. In other industries, the use of sophisticated information technology has transformed processes, increased efficiency and created innovation. Pharma and Biotech are knowledge industries and yet there are very few tools available that increase the efficiency of the transformation of data to information to knowledge.

Even with sophisticated new technologies, the challenges of the complexity of data-types and problems associated with building models of understanding disease therapies that are based on inherently complex and variable biological systems remain. I will describe some of these challenges and highlight new methods that have the potential to revolutionize the way in which data and information are used within the industry. This is the beginning of a new era in which searching for answers in the information that surrounds us becomes as facile and as enlightening as dialog with a mentor.

Management Reporting of Clinical Trial Programs, Portfolios, and Studies: Managing Risks / Managing Projects

Joel Hoffman, Insightful

Managing a clinical trial is managing risk. In this presentation, the types of risk that companies and academic institutions face are reported from a study of 11 companies. Next, a best practice for managing risk in clinical trials will be described and discussed. The importance of metrics will also be described and best practices for establishing and using metrics in organizations. Finally, example uses of technology for managing risk in clinical trials will be shown.

The following topics in Clinical Development & Risk Management will be discussed:
1) Survey on Risk Dimensions in Clinical Development
- Background to the survey
- Dimensions of Risk Identified
Results, Safety, Efficacy, Recruitment, Timelines (other than recruitment), Budgets, Resources, Systems
- Summary
2) Processes for Managing Risk – A Best Practice
- Process Overview
- Basic Tools
- The Study Plan
* Project/Study Risks: Examples
* Study Status Review Meeting
* Tracking Tools
- Getting a Plan Pre-Approved
- Linking Team Members
- Summary: Managing a Trial is Managing Risks
3) Managing Risk with Metrics
- Approach to Developing Metrics
- Clinical Milestones and Deliverables
- Clinical Milestones and Metrics Used by Life Science and Academic Institutions
4) Example uses of Technology
5) Summary and Conclusions

WORKSHOPS

* Electronic Laboratory Notebook Workshops – Rescentris, Symyx
* Applying Roadmap processes to the Clinical Trials Project Process, Joel Hoffman (Insightful)
* Innovation Management in R&D – an Enterprizer Briefing and Case Study, Joseph Bitran (Enterprizer)
* Using Interactive Visual Analytics to Accelerate Drug Development, David Mosenkis (Spotfire)

InnovationWell meeting workshop conference management executive Bryn Mawr Philadelphia Critical Pathbiomarkers metabolomics toxicology personalised medicine KM Life Sciences Pharma Drug DiscoveryResearch and Development Drug Development Healthcare Innovation Knowledge Management events

InnovationWell Press Release (2 October 2006):  http://www.prweb.com/releases/2006/10/prweb444155.htm

eCheminfo Press Release (29 September 2006):  http://www.prweb.com/releases/2006/9/prweb443727.htm

Innovation in Life Science & Healthcare Research & Product Development - Program and Agenda

The final program and agenda for our 4 Day joint InnovationWell and eCheminfo Community of Practice Meeting on the themes of Innovation in Life Science & Healthcare Research & Product Development and Latest Advances in Drug Discovery & Development is now available and provided below.  The meetings will take place at Bryn Mawr College, Philadelphia, USA, 16-19 October 2006. Program brochures may also be downloaded here:

InnovationWell Program Brochure on Innovation in Life Science & Healthcare Research & Product Development (Autumn 2006):

Download innwprogrambrynmawr06final_web3.pdf

eCheminfo Program Brochure on Latest Advances in Drug Discovery & Development (Autumn 2006):

Download eChemProgramBrynMawr06-web1a4.PDF

Updates & Abstracts will be located at: http://www.innovationwell.net/COMTY_conferenceprogram/
and http://www.echeminfo.com/COMTY_conferenceprogram/

PROGRAM AND AGENDA

Monday 16 October

07.30 Registration & Welcome Coffee Opens, Thomas Great Hall

InnovationWell InterAction Meeting Session, 09.00 – 13.00
Utilising Knowledge Management to increase R&D Productivity along Critical Paths
Chair: Michael Liebman (Windber Research Institute)

Delia Y. Wolf (Harvard Medical School), What a Quality Assurance Program can do to Facilitate Clinical Research and Development Process
Peter Gates (Johnson & Johnson PR&D), A Framework for Research Informatics
Jonathan Sheldon (InforSense), Building an Informatics Infrastructure for Translational Research
Duane Shugars (Concentia Digital), Why the “Top-Down Approach” to Knowledge and Content Management has failed the United Sates Intelligence Community – Implications for Healthcare Research
Jian Wang (Biofortis), Knowledge Management for Translational Research
Jeff Spitzner (Rescentris), Applying Knowledge Assessment Techniques to improving Productivity in Life Science Research

eCheminfo InterAction Meeting Session, 08.30 – 13.00
Structure-based Drug Design
Chair: Frank Hollinger (Locus Pharmaceuticals)

Erin Duffy (Rib-X), Structure-Based Drug Design Targeting Infectious Disease
Mike Malamas (Wyeth), Structure-Based Design of Estrogen Receptor-beta Selective Compounds
Frank Hollinger (Locus Pharmaceuticals), Harnessing the power of Structure Based Drug Design using a Fragment Based Approach
Debananda Das (National Cancer Institute), Structural Interactions of CCR5 with HIV-1 entry inhibitors
Max Cummings (Johnson & Johnson PR&D), Small Molecule Inhibitors of Protein-Protein Interactions
Jose Duca (Schering-Plough), Using ab initio calculations as routine tools to help design CDK2 inhibitors
Paul Labute (Chemical Computing Group), High Strain Energies of Bound Ligands

13.00 Lunch

InnovationWell Workshop Activity, 14.00-17.30
14.00-15.30
Carrying out an Onsite Audit and Self-assessment in Clinical Trial Management
Delia Y. Wolf (Harvard Medical School)

16.00-17.30
Knowledge Assessment in R&D – Impact on Project Management & Research Productivity
Barry Hardy (Douglas Connect) & Jeff Spitzner (Rescentris)

eCheminfo Workshop Activity, 14.00 – 18.00
14.00-15.30
Quantum Biochemistry Workflows, Lance Westerhoff (QuantumBio)

Fragment- and Structure-Based Drug Design, Zenon Konteatis and Jennifer L. Ludington (Locus Pharmaceuticals)

16.00-18.00
Advanced Techniques in Pharmacophore Perception and Successful Applications in Drug Design, Osman F. Güner (Turquoise Consulting)

Advances in Virtual Screening and Structure-based Drug Design
Hege Beard and Shashi Rao (Schrodinger)

Hypothesis generation from docking results using activity measurements, interaction fingerprints, clustering and 2D visualization methods
Alex Clark (Chemical Computing Group)

18.00 Drinks & BBQ

Tuesday 17 October

InnovationWell InterAction Meeting Session, 09.00 – 13.00
Decision Support for Research & Development
Peter Henstock (Pfizer), The Role of Systems Biology and Knowledge Management in Advancing Toxicology Knowledge in Big Pharma
Craig Liddell (Realtime Science), Advanced Technology in Support of Analytics in the Life Sciences
David Mosenkis (Spotfire), Case Studies in Using Interactive Visual Analytics to Accelerate Drug Development
Joel Hoffman (Insightful), Management Reporting of Clinical Trial Programs, Portfolios, and Studies: Managing Risks / Managing Projects
Dennis Underwood (Praxeon), Searching for Answers in Drug Development: The Game of Twenty Questions

eCheminfo InterAction Meeting Session, 09.00 – 13.00
Screening
Stan Young (National Institute of Statistical Sciences), Analysis of HTS data using Recursive Partitioning
John Irwin (UCSF), Investigating bias in Docking Screens with Target, Ligand and Decoy Benchmarking Sets
Deepak Bandyopadhyay (Johnson & Johnson PR&D), A new Self-organizing Algorithm for Molecular Alignment and Pharmacophore Development
Daryll Reid (SimBioSys), Virtual Ligand Screening with eHiTS
Neysa Nevins (GlaxoSmithKline Pharmaceuticals), A Critical Assessment of Docking Programs and Scoring Functions
William Douglas Figg (National Cancer Institute), Development of Angiogenesis Inhibitors - from Screening to the Clinic

InnovationWell Workshop Activity, 14.00-17.30
14.00 – 15.30
Electronic Laboratory Notebook Workshops

16.00 – 17.30
Applying Roadmap processes to the Clinical Trials Project Process, Joel Hoffman (Insightful)

Innovation Management in R&D – an Enterprizer Briefing and Case Study, Joseph Bitran (Enterprizer)

Using Interactive Visual Analytics to Accelerate Drug Development, David Mosenkis (Spotfire)

16.00-21.00 Open Event on Knowledge Management in R&D & ELNS

16.00 Electronic Laboratory Notebook Demonstrations

17.30 Open Seminars & Panel Discussion

19.30 Knowledge Café on Knowledge Management in R&D

20.30 Reception

eCheminfo Workshop Activity, 14.00-17.30
14.00 – 15.30
Applications of Filtering and Similarity in Virtual Screening
Paul Hawkins (OpenEye)

Docking and Screening
Darryl Reid (SimBioSys)

16.00 – 17.30
Roundtable Discussion on Virtual Screening & Docking Study
This session will discuss current virtual screening and docking methods and software, results of existing validation and comparison studies, and procedures for community of practice studies to be undertaken.

Wednesday 18 October

InnovationWell InterAction Meeting Session, 08.30 – 16.00
Application of Metabolomics to Drug Discovery & Development
Chair: George G. Harrigan (Monsanto)

George Harrigan (Monsanto), An Overview of Developments in Metabolomics Approaches
Rick Beger (NCTR, FDA), FDA's Critical Path Initiative: Opportunities for Metabolomics
Alvin Berger (Metabolon), Application of Metabolomics to Biomarker and Off-Target Side Effect Identification in Marketed Drugs and New Chemical Entities
Don Robertson (Pfizer), Uses and Abuses of Metabonomics in Pharmaceutical Preclinical Safety Assessment
Gregory Banik (Bio-RAD), Toward Diagnosis of Diabetes by NMR-based Metabolomics
Teresa Garret (Duke University), Identification of novel, minor lipids in total lipid extracts of Eschericia coli using Electrospray ionization mass spectrometry
Nick Haan (BlueGnome), Analysis of Metabolic Profiling Data - Combining the Strengths of NMR and MS
Susan Connor (Glaxo SmithKline), A Pharma Perspective on Metabolomics - the Opportunities and Realities
Laszlo Boros (SIDMAP), Tracer Substrate-based Metabolomics and the 2005 Nobel Prize award in Physiology & Medicine
Bruce Kristal (Cornell University), Serum Markers of Caloric Restriction
Oliver Fiehn (UC Davis Genome Center), Standards in Reporting Initiative
Eric Nemec (Leco Corporation), Studies of Drug-Induced Liver Injury using Comprehensive 2D Gas Chromatography with Time-of-Flight Detection

eCheminfo InterAction Meeting Session, 09.00 – 13.00
Bench Scientists’ & Modellers’ Discussions on Discovery Tools & Modeling
In this session a panel of experimental and computational chemists will discuss their experiences in using computational modeling methods in drug discovery. They will discuss where the methods and software are having success, and where current methods are not yet meeting their needs, are failing or have challenges or complications.  Short presentations on drug discovery experiences will be used to seed discussion of cheminformatics-driven medicinal chemistry and lead optimization and conversations on where new developments could aid improvement in practice and tools.

Panel: Chris Cooper (BMS), James Arnold (AstraZeneca), Phil Edwards (AstraZeneca), Pete Connolly (Johnson & Johnson PRD), Victor Lobanov (Johnson & Johnson PRD), Jim Wikel (Coalesix)

InnovationWell Workshop Activity, 16.30-18.00
NMR-based Positional Isotopomer Analysis in Metabolomics
Andrew N. Lane (JG Brown Cancer Center, U. Louisville)

Linking Metabolic Profiles to Biological Outcome
S. Stanley Young (National Institute of Statistical Sciences)

Understanding Metabolomics  Mixtures with Principal Components Analysis
Gregory Banik (Bio-RAD)

eCheminfo Workshop Activity, 14.00-17.30
14.00 – 15.30
in silico Technology in Drug Discovery and Development
Michael B. Bolger (Simulations Plus and USC School of Pharmacy)

Using Physicochemical Property Predictions to Overcome ADME Concerns at Lead Optimization
Sanji Bhal and Karim Kassam (ACD/Labs)

16.00 – 17.30
Machine Intelligence in the Design of New Biologically Active Chemicals
Gilles Klopman (Multicase)

Challenges of ADME/Tox Prediction
Bob Clark (Tripos)

18.00 Poster Session, Drinks and BBQ

Thursday 19 October

InnovationWell InterAction Meeting Session, 09.00 – 13.00
Biomarker Discovery & Applications in Drug Development

Keith Elliston (Genstruct), Harnessing the Power of Systems Biology – Delivering Mechanism-of-Action and Biomarkers in Drug Development
Zentam Tsuchihashi (Bristol-MyersSquibb), Many Layers of Biomarker Roles in Tumor Immunotherapy
Darius Dziuda (Central Connecticut State University), Multivariate Biomarkers Discovery
Michael Jones (Novartis), Application of Proteomics to Biomarker Discovery
Bernd Bonnekoh, (Otto-von-Guericke-University), Perspectives for Multi Epitope Ligand Kartography (MELK) for Detection of Diagnostic and Therapeutic Biomarkers in Skin Diseases, Allergology and Beyond

eCheminfo InterAction Meeting Session, 09.00 – 16.00
Predictive Toxicology
Chair: Curt Breneman (Rensselaer Polytechnic Institute)

KEYNOTE: Tudor Oprea (Univ. New Mexico), The Physical basis for the Rule of Five
Navita Mallalieu (Roche Pharmaceuticals), A Roadmap for Integrating Modelling & Simulation in Pre-Clinical DMPK Research
Alex Tropsha (UNC), The Statistical Significance vs. Mechanistic Interpretation of ADME/tox models
Curt Breneman (Rensselaer Polytechnic Institute), Predictive ADME : How Do I Know if my Predictions will be Useful?
Sanji Bhal & Karim Kassam (ACD/Labs), An in silico Approach to Reduce the Burdens of Lead Discovery and Optimization
Michael B. Bolger (Simulations Plus and USC School of Pharmacy), Integration of Early ADME using Property Estimation and PBPK Simulation
Bob Clark (Tripos), The "Structures" in Structure-Activity Relationships
Gilles Klopman (Multicase), Machine Intelligence in the Design of New Biologically Active Chemicals

InnovationWell Workshop Activity, 14.00-16.00
Ansgar J. Pommer (SkinSysTec), Analyzing in-situ Proteomics by Multi Epitope Ligand Kartography (MELK) for Detection of Diagnostic and Therapeutic Biomarkers

InnovationWell meeting workshop conference management executive Bryn Mawr Philadelphia Critical Pathbiomarkers metabolomics toxicology personalised medicine KM Life Sciences Pharma Drug DiscoveryResearch and Development Drug Development Healthcare Innovation Knowledge Management events

InnovationWell Community of Practice Autumn Meeting, 16-19 October 2006

At our InnovationWell Community of Practice Autumn Meeting on Innovation in Life Science & Healthcare Research & Product Development (16-19 October 2006, Bryn Mawr, Philadelphia) we will be concentrating on themes of relevance to FDA’s Critical Path initiative integrated into our ongoing themes of innovation and knowledge management in life science and healthcare product development and safety. The themes of knowledge management in clinical and translational research, decision support for R&D, Metabolomics, Predictive Toxicology and Biomarkers & Systems Biology approaches will be covered in four days of InterAction Meeting program sessions. In addition to morning presentations and panel discussions, workshops will run each afternoon expanding on discussions of topics, methods and practices, with bbq, social activity and poster sessions running on campus during the evenings.

Michael Liebman (Windber Research Institute) will chair a program examining the application of Knowledge Management techniques to increase R&D Productivity along Critical Paths in clinical and translational research and will be joined by Delia Y. Wolf (Harvard Medical School), Peter Gates (Johnson & Johnson PR&D), Jonathan Sheldon (InforSense), Duane Shugars (Concentia Digital), Jian Wang (Biofortis), and Jeff Spitzner (Rescentris).

The Decision Support for Research & Development will examine the application of knowledge and risk management, systems biology, analytics, and new technologies in improving productivity and decision making in R&D, clinical research and development. Presenters include Peter Henstock (Pfizer), Craig Liddell (Realtime Science), David Mosenkis (Spotfire), Joel Hoffman (IntraSphere), and Dennis Underwood (Praxeon).

A Metabolomics in Discovery & Development Day is being chaired by George Harrigan (Monsanto) and co-sponsored by the Metabolomics Society and includes presentations and workshops from Rick Beger (NCTR, FDA), Alvin Berger (Metabolon), Don Robertson (Pfizer), Gregory Banik (Bio-RAD), Teresa Garret (Duke University), Susan Connor (Glaxo SmithKline), Laszlo Boros (SIDMAP), Bruce Kristal (Cornell University), Stanley Young (NISS) and Andrew Lane (JG Brown Cancer Center, U. Louisville).

The FDA has identified the development of new biomarkers as one of the key opportunities to increase efficiency, predictability, and productivity in drug development. A session on the application of Biomarkers in Drug Development will explore new advances and challenges in this area and will include a keynote from Keith Elliston, CEO (Genstruct), with Zentam Tsuchihashi (BMS) discussing Biomarker Roles in Tumor Immunotherapy, while Darius Dziuda (CCSU) will cover the topic of Multivariate Biomarkers.

The Pedictive Toxicology session brings together leading ADME & Tox experts and includes a Keynote from Tudor Oprea and seminars from Navita Mallalieu (Roche), Alex Tropsha (UNC), Curt Breneman (RPI), Karim Kassam (ACD/Labs), Michael Bolger (USC School of Pharmacy), Bob Clark (Tripos), and Gilles Klopman (Multicase).

The program also includes eCheminfo Drug Discovery sessions on Structure-based Drug Design, Screening, and Medicinal Chemistry, which are also available to all registrants to attend. (http://www.echeminfo.com/COMTY_conferences/)

Program and schedule information can be viewed at
http://www.innovationwell.net/COMTY_conferences/

Please address any questions related to the conference, exhibition or workshop program to Dr. Barry Hardy, InnovationWell Community of Practice Manager, +41 61 851 0170, barry.hardy [at] douglasconnect.com. Registration enquiries should be directed to innovationwell [at] douglasconnect.com

Barry Hardy

InnovationWell meeting workshop conference management executive Bryn Mawr Philadelphia Critical Pathbiomarkers metabolomics toxicology personalised medicine KM Life Sciences Pharma Drug DiscoveryResearch and Development Drug Development Healthcare Innovation Knowledge Management events

Electronic Laboratory Notebook – Systems for Managing Research Knowledge, Supporting Collaboration and Driving Innovation

We are holding the following Open Event at Oxford University on discussing the role of Electronic Lab Notebooks in supporting R&D on July 6.  For those of you able to make this free event, please simply send an RSVP via email to innovationwell [at] douglasconnect.com.

InnovationWell Open Seminar & Reception

The Electronic Laboratory Notebook – Systems for Managing Research Knowledge, Supporting Collaboration and Driving Innovation

Wolfson Seminar Room
Chemistry Research Laboratory
Mansfield Road, Oxford University

Thursday July 6, 4.30pm-8pm

Join us to discuss the emerging roles of Electronic Laboratory Notebooks in managing multidisciplinary research activities, innovation and collaboration

This is an Open Seminar and involves no registration fee. However seated places are limited and will be restricted to a confirmed guest list. Please send an RSVP with your name and organisation via email to innovationwell [at] douglasconnect.com

Agenda

4.30pm Welcome coffee

5.00pm Electronic Laboratory Notebooks and the Management of Modern Scientific Research and Development – an Industry Perspective
John Trigg, Managing Director, phaseFour Informatics, UK

John Trigg has over 20 years’ experience of working in the field of R&D data, information and knowledge management including 10 years experience of the world’s first enterprise level implementation of an Electronic Lab Notebook at Kodak. He will provide an overview of the critical emerging role of ELNs in modern industry research.

5.30pm Electronic Laboratory Notebooks as Engines of Knowledge for Research and Development – a Knowledge Management Perspective
Dr. Barry Hardy, Founder of the InnovationWell Community of Practice and Director, Knowledge Management Institute, Switzerland

Barry Hardy will provide an overview of the critical knowledge management strategies and methodologies for enabling productivity and successful outcomes in collaborative-based R&D. He will discuss knowledge assessment approaches aimed at the continuous improvement of the innovation and performance of the R&D organisation and its support ELN systems.

6.00pm ELN Framework Requirements to Support Collaborative Multidisciplinary R&D – A Solutions Perspective
Dr. Jeff Spitzner, President & Chief Science Officer, Rescentris; Ohio, USA

Jeff Spitzner is a leading expert in bioinformatics, knowledge management, and electronic laboratory notebook systems. In 1997 he co-authored the BSML data standard for bioinformatics, the pioneering XML technology in the life sciences; today he provides the vision and guides the development of Rescentris products. He will discuss the design and implementation of collaboration frameworks for the management of scientific research, and the role of semantic web technologies in record-keeping solutions that support the integrated R&D organization.

6.30pm Panel Discussion with Audience

The speakers and audience will discuss Electronic Laboratory Notebooks and their role in managing and supporting R&D in today’s complex multidisciplinary scientific environment.

7.00pm Reception

Drinks, Snacks, Software Demos … and more discussions!

Program Flyer:

Download InnW-Flyer-Ox06-ELNreception2.pdf

This event takes place alongside the following workshop activities running in Oxford that week:

Innovation & Knowledge Management in Research & Product Development
a 3 day Interactive Management Workshop, 5-7 July 2006
Chemistry Research Laboratory, Oxford University, Oxford, UK

led by leading industry experts and practitioners including Victor Newman, Paul Lefrere, David Gurteen, David Snowden, Jeff Spitzner, John Trigg, Iain Bitran and Barry Hardy

Program Brochure:
http://barryhardy.blogs.com/theferryman/files/innovationwellrd_oxford_web1.PDF

These workshops are aimed to bring leading best practice and issue discussion to industry researchers and managers striving to use the latest innovation and knowledge management techniques and tools to maximise productivity and return in investment from R&D activities. Workshop groups will work through and discuss complex issues highlighted by detailed case studies presented by instructors. The following topics will be discussed:

Strategic Knowledge Management in R&D
Intellectual Property, Licensing & Valuation
Effective Deployment Strategies for Electronic Laboratory Notebooks
Knowledge Assessment & Auditing
Ontologies & Knowledge Discovery
Integrating Innovation Management & Research Activities
Communication & Collaboration between Research Teams & Partners
Organisational Development & Culture in R&D
Decision Support for Research Project & Portfolio Management
Integration of Tools & Data in R&D
Complex Systems Approaches to Product Development

More Information at:
http://innovationwell.net/COMTY_rpdtraining/


Latest Advances in Drug Discovery Design & Planning Methods
a Hands-on 5 Day eCheminfo Advanced Training Workshop Week
3-7 July 2006, Oxford University, Oxford, UK

These workshops are aimed to provide a set of stimulating workshops using latest advanced modelling techniques of relevance to chemists, life scientists and modellers working in drug discovery. Participants should return to their labs with new ideas, best practices and software experiences to maximise productivity in their own drug discovery research activities.

You can download a copy of the program brochure from:
http://barryhardy.blogs.com/cheminfostream/files/eChemProgramOxford06-v7web.pdf

Further information is available at:
http://echeminfo.colayer.net/COMTY_training


Barry Hardy, PhD
Douglas Connect, Switzerland
+41 61 851 0170 (office)
www.douglasconnect.com

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