Wednesday 21 March 2007

Faculté de Chimie ULP, 1, rue B. Pascal,

4ème étage, salle d'informatique 2

Faculty of Chemistry of the Louis Pasteur University of Strasbourg and IDBS are pleased to announce this free 1 day workshop , to be hosted by industry expert, Dr Evgueni Kolossov.

9:00 – 9:40 PredictionBase: Today and Tomorrow (Overview)

9:40 – 10:00 Workshop overview

10:00 – 10:15 Coffee break

10:15 – 12:00 Workshop Part 1

•  Profile Library project:

•  Data registration, load, and validation

•  Biological fingerprints

•  Profile model (training and validation)

•  Targeted virtual library design (Library search, filtering, and publishing as new library)

12:00 – 14:00 LUNCH

14:00 – 15:15 Workshop Part 2

•  Quantitative project models:

•  Descriptor-based (LSF_D, PLS_D)

•  Fragment-based (LSF_F, PLS_F)

•  Linear SVM

•  Non-Linear SVM

•  Prediction and virtual screening using models

15:15 – 15:30 Coffee break

15:30 – 17:00 Workshop Part 3

•  Classification project models:

•  Range-based models (Binary classification)

•  Linear SVM

•  Non-Linear SVM

•  Random decision forest

•  ALCA

•  Multi-range models (N-ary classification)

•  Randon decision forest

•  Prediction and virtual screening using classification models

17:00 -> Final discussion