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