We are establishing an eCheminfo Collaboration Pool of individuals and organisations who have an interest in collaborating together in areas of drug discovery. For example, a selection of Pool members could participate in a collaborative drug discovery or predictive ADME/Tox project, develop a funding proposal or response to a call opportunity together, or develop an innovation or best practice.
To join the eCheminfo Collaboration Pool please complete the short form located at: https://www.surveymonkey.com/s/V6T2YSD
Collaborations will take a virtual organisation approach, i.e., partners can bring contributing modelling or experimental capabilities to a partnership for the duration of a project or other endeavour.
We will run two such virtual organisation (VO) projects for the first time this year starting later this Spring:
A) Drug Design project which will examine the application of a variety of leading modelling and design approaches to novel target kinases, to experimentally test predictions, and to initiate a best practices virtual screening resource.
B) Predictive Toxicology project to apply a combination of in silico and in vitro approaches to predict in vivo toxicity including exposure.
Both VOs will be supported by a variety of leading modelling and design software, informatics infrastructure, and collaborative content management and electronic lab notebook systems.
The VOs will be supported by knowledge-oriented collaboration services developed under the FP7 Synergy research project, including a reactive complex event driven engine, collaboration moderator, collaboration pattern services and partner knowledge base.
The Predictive Toxicology VO will be supported by distributed REST-driven web services for data management, model building, validation and reporting, developed under the OpenTox Framework (http://www.opentox.org/).
We will also consider incorporation of Case Studies into the eCheminfo Drug Discovery and Predictive ADME/Tox workshops to be held in Oxford this summer. See http://echeminfo.com/
Barry Hardy PhD
Director, Community of Practice & Research Activities
Douglas Connect
Switzerland
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