HOME- Bryn Mawr Conference
- Bursary Award
- Program 2007
- ADMET
- Beger, R
- Cherkasov, A
- Contrera, J
- Helma, C
- Hopfinger, A
- Jamois, E
- Klon, A
- Madden, J
- Pelletier, D
- Poroikov, V
- Richard, A
- Tomaszewski, J
- Fragment-based Design
- SBDD
- Screening
- Structural Biology
- Program 2006
- Photo Gallery
- Workshops & Training
- Program
- Exhibition
- Registration
- Jobs
- Contact
- Support
- Schedule
|
|
|
|
|
| Predictive ADME/Toxicology |
eCheminfo InterAction Meeting Sessions, Bryn Mawr, Philadelphia, USA,
18-19 October 2007
chaired by Tony Hopfinger (University of New Mexico College of Pharmacy) Bio.... | |
The goal in performing ADME/Tox studies is to be able to elucidate, validate and implement computational design paradigms that incorporate drug-like properties into a molecule, minimize its toxicity profile, and, at the same time, permit optimizing a useful therapeutic endpoint of the molecule. This session will explore recent advances being made in ADME/Tox to achieve this goal at leading academic, industrial and government laboratories.
The on-going development of the ADME/Tox field requires data for model building, methods to uncover and define key structural features, statistical and inference techniques to build reliable models and an understanding of how best to implement computational ADME/Tox in current drug discovery and toxicology programs and strategies. The speakers in this session come from different venues throughout the scientific community, and, thereby, should provide a distinct, diverse and diligent forum to share information from different perspectives regarding what has been achieved, what is currently going on and where are the major barriers in the evolution of this important area in new drug discovery and environmental science.
Presenters & Discussions Leaders
Joseph Tomaszewski (NCI), Predictive ADMET at the NCI Abstract & Bio....
Artem Cherkasov (University of British Columbia), Drugs, Drug-Likeness, Metabolism, Antimicrobals Abstract & Bio....
Dennis Pelletier (Pfizer), Predicting Phospholipidosis Inducing Potential Abstract & Bio....
Richard Beger (FDA), Comparison of TEFs and REPs Predicted by Quantitative Spectrometric Data-Activity Relationships and REPs Determined by a Luciferase Gene Expression Assay for 1,3,7,8-TCDD and 1,2,3,4,7-PeCDD Abstract & Bio....
Anthony Klon (Pharmacopeia Drug Discovery), Bayesian Modeling of Numerical Data for ADME Property Prediction Abstract & Bio....
Tony Hopfinger (University of New Mexico College of Pharmacy), ADME/Tox Modeling From Informatics to Structure-Based Paradigms Abstract & Bio....
Joseph Contrera (FDA), QSAR screening for carcinogenic potential using multiple models and software platforms Abstract & Bio....
Christoph Helma (University of Freiburg and in silico toxicology) In-silico prediction of chemical toxicity: Lazy-Structure-Activity-Relationships (lazar) and the OpenTox framework Abstract & Bio....
Vladimir Poroikov (Russian Academy of Sciences), Bio- and Chemoinformatics Applications in Discovery of Multitargeted Drugs Abstract & Bio....
Judith Madden (Liverpool John Moores University), Application of Global and Local In Silico Models to Predict Pharmacokinetic Properties Abstract & Bio....
Ann Richard (EPA), Toxico-Cheminformatics in Support of Predictive Toxicology Abstract & Bio....
Eric Jamois (Strand Life Sciences), Towards Cognizant Data Models for SAR Abstract & Bio....
|
|
|
|
|
|
|
|
