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| eCheminfo Predictive ADME & Toxicology Workshop | | Predictive ADME and Toxicology
Medical Sciences Teaching Centre, Oxford University, Oxford, UK
2-6 August 2010
Application of Predictive ADME and Toxicology methods to case studies
a Hands-on 5 Day eCheminfo Workshop Week
2-6 August July 2010; Medical Sciences Teaching Center, Oxford University, Oxford, UK
facilitated by Barry Hardy
Work through in detail and discuss case studies, practical examples, methods and emerging techniques with leading modelling experts!
| Adverse Events Data Mining
Building Models for Mechanism of Action
Predictive ADME/tox-guided Library Design
Cytochrome-mediated Metabolism
Metabolite Prediction
Read-Across & Database Lookup
Knowledge-based Reasoning and Toxicity Prediction
Prediction of Chemical Carcinogenicity
QSAR Model Building and Validation
Ontologies and Inferencing
Physiologically-based Pharmacokinetics Simulation
Toxicokinetics and Predicting Exposure
REACH Regulatory Assessment Strategies
Selecting and Designing in Vitro Toxicity Assays
OECD Principles and Reporting Formats
Building Consensus Models and Weight of Evidence
QSAR-based Predictive Toxicology Workflows
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These workshops are aimed to provide a set of stimulating hands-on problem-solving activities used latest advanced modelling and analysis techniques and case studies of relevance to research scientists, modellers, risk assessors, and product developers needing to predict the absorption, distribution, metabolism and excretion (ADME) and toxicity of chemical compounds. In this workshop the ADME topic focus will be that of relevance to predicting toxicity.
Workshop groups will study problems with hands-on examples using leading-edge methods and software and discuss complex issues highlighted by examples presented by instructors. A case study set will be used to link all workshop activities throughout the week.
Software packages and an IT classroom will be used by instructors and participants to work through Predictive ADME and Toxicology problems. Participants may propose problems and issues to the faculty ahead of the workshop. Participants will also have ample opportunity to work in small groups on problems and case studies and to discuss their perspectives and criticisms of the cases and methods studied.
View 2009 ADMET Workshop Program…
A Bursary Award will be used to support the attendance of a selection of academic participants at the workshop.
More Information....
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Drug Design Workshop
A second workshop week focusing on the case study application of drug discovery informatics and design methods will take place the preceding week of 26-30 July 2010. Participants may participate in either week or both.
More Information....
The workshops will take place at The Medical Sciences Teaching Center, Oxford University, Oxford, UK.
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Draft Workshop Program
Monday August 2
08.30 Registration Open
09.00 Overview of Workshop Activities and Case Studies, Barry Hardy (Douglas Connect)
09.30 Human Adverse Event Data Mining
12.00 Lunch
13.00 Building Models for Mechanism of Action
16.00 Group Work and Discussion on Workshop Case Study Problems
18.00 Poster Session with Refreshments and Food
Tuesday August 3
08.45 Using Database look-ups, Read Across, and Predictive Models to assess the Toxicity of Compounds, Glenn Myatt (Leadscope)
11.00 Group Work on Workshop Case Study Problems
12.30 Lunch
13.30 Integrated QSAR-based Model Building, Applicability Domain Estimation, Validation and Reporting, Nina Jeliaskova (Ideaconsult)
16.00 Group Work on Workshop Case Study Problems
18.00 End of Workday
18.00 Punting (weather permitting)
Wednesday August 4
08.45 Ontologies, Knowledge-based Reasoning and Toxicity Prediction
11.00 Group work on case study problems
12.30 Lunch
13.30 Metabolism, Toxicokinetics and Predicting Exposure
16.00 Group work on case study problems
18.00 End of Workday
Thursday August 5
8.45 Datamining and Predictive Toxicology Workflows
11.00 Group Work on Workshop Case Study Problems
12.30 Lunch
13.30 Building Consensus Models and Weight of Evidence
16.00 Group Work on Workshop Case Study Problems
18.00 End of Workday
Friday August 6
9.00 Experimental Testing of Predictions
10.00 Group Work on Workshop Case Study Problems
12.00 Group Presentation of Workshop Case Study Results
13.00 Lunch
14.00 Group Work on Workshop Case Study Problems
16.00 Group Presentation of Workshop Case Study Results
17.00 End of Workshop
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