Workshop "Predictive modelling - ensuring quality results through quality assurance of in silico predictive models"

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