Training Week - Latest Advances in Drug Discovery Design & Planning Methods

We are holding a hands-on 5 Day eCheminfo Advanced Training Week for chemists and informaticians working in drug discovery the week of 3-7 July 2006 at the Chemistry Research Laboratory, Oxford University, Oxford, UK.  The week will consist of interactive pragmatic workshops led by leading experts and industry practitioners.  We will work through in detail and discuss practical examples, methods and emerging techniques.

Topics to be covered include Virtual Screening & Docking, Structure-based Drug Design, Reaction Planning & Library Design, Latest advances in ADME & Predictive Toxicology, Data Analysis & Visualisation and Integration of Cheminformatics & Bioinformatics Tools & Data.

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.

Workshop groups will study problems with hands-on examples using leading-edge software and discuss complex issues highlighted by examples and case studies presented by instructors.  Software packages and an IT classroom will be used by instructors and participants to work through the problems. Participants may propose problems and issues to the faculty ahead of the workshop week and can also bring their own laptops to test software on their own test problems.

Participants will have ample opportunity to discuss their perspectives and criticisms of the methods studied and should take-away key nuggets of understanding from these intensive sessions.

Program includes the following workshops:

In silico Library Enumeration of Synthetically Feasible Libraries
Workshop Instructors: Gyorgy Pirok, Chief Technology Officer, ChemAxon
and Daniel Butler, Scientific Executive, Inhibox

Reaction Modelling and Prediction of Reaction Thermodynamics & Kinetics
Workshop Instructor: David Gallagher CAChe, BioSciences Group, Fujitsu

Applications of Filtering and Similarity in Virtual Screening
Workshop Instructor: Paul Hawkins, OpenEye Scientific Software

User Perspective Evaluation of Virtual Screening Methods
Workshop Instructor: David Lloyd, Hitachi Professor, Trinity College Dublin

Advances in Virtual Screening and Structure-based Drug Design
Workshop Instructors: Jas Gata-Aura and Gerd Rather, Schrodinger

Data Analysis & Visualisation in Discovery Chemistry & Biology
Workshop Instructor: Lennart Eriksson, Umetrics

Predictive Toxicology
Workshop Instructors: Mark Cronin, Liverpool John Moores University and Scott McDonald, Lhasa Limited

Discovery Data Mining using Data Pipelining
Workshop Instructor: Rob Brown, Scitegic

More details on the workshops can be found on the eCheminfo website at http://echeminfo.colayer.net/COMTY_training

Details on Accomodation and Registration follow here...