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- 2010 Oxford (Discovery)
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- Hardy, B
- Hardy, L
- Jeliazkova, N
- Judson, R
- Leahy, D
- Li, J
- Myatt, G
- Polak, S & Turner, D
- Rydberg, P
- Tsaioun, K
- Wiseman, J
- Bursary Award
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- 2009 Oxford (ADMET)
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| eCheminfo Workshop | | Predictive Toxicology
Medical Sciences Teaching Centre, Oxford University, Oxford, UK
2-6 August 2010
Application of Predictive Toxicology & ADME 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. |
Workshop Program
Monday August 2
08.30 Registration Open
09.00 Overview of Workshop Activities and Case Studies, Presented by Barry Hardy (Douglas Connect) More Information....
09.30 Human Adverse Event Data Mining, Led by Jeff Wiseman (Pharmatrope) More Information....
12.00 Lunch
13.00 Building and Testing Mechanism-Based Models of Chemical Toxicity using Data from the U.S. EPA ToxCast Program, Led by Richard Judson (U.S. EPA, National Center for Computational Toxicology) More Information....
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, Led by Glenn Myatt (Leadscope) More Information....
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, Led by Nina Jeliazkova (Ideaconsult) More Information....
16.00 Group Work on Workshop Case Study Problems
18.00 End of Workday
18.00 Punting (weather permitting) More Information....
Wednesday August 4
08.45 Population-varied Physiologically-based ADME Simulation for in vitro-in vivo Extrapolation and Exposure Estimation, Led by Sebastian Polak and David Turner (Simcyp) More Information....
11.00 Group work on case study problems
12.00 Lunch
13.00 Using Computational Chemistry to Predict Drug Metabolism Mediated by Cytochromes P450, Led by Patrik Rydberg (University of Copenhagen) More Information....
15.00 Knowledge-based Reasoning for the Prediction of Toxicity and Metabolism, Led by Liz Hardy (Lhasa Limited) More Information....
17.00 Group work on case study problems
18.00 End of Workday
Thursday August 5
8.45 Datamining and Predictive Toxicology Workflows, Led by David Leahy (Discovery Bus) More Information....
11.00 Group Work on Workshop Case Study Problems
12.30 Lunch
13.30 Weight of Evidence approaches: from Consensus Models to Bayesian Integration Methods, Led by Jin Li (Unilever) More Information....
16.00 Group Work on Workshop Case Study Problems
18.00 End of Workday
Friday August 6
9.00 In vitro Assays that Predict Mechanisms of Human Organ Toxicity, Led by Katya Tsaioun (Apredica) More Information....
10.00 Design and Planning of Experimental Assays for Testing Predictions
11.00 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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