October 29, 2015

308 auditorium, New Building of Chemical Institute, Kazan Federal University

9:00-14:00

Registration

Chair of the session - I. Antipin

14:00-14:15

Opening Ceremony

Introduction (I. Antipin)

14:15-15:15

Plenary Lecture 1 /             A. Tropsha (USA)

QSAR Modeling: Where have you been? Where are you going to?

15:15-15:45

Plenary Lecture 2 /              I. Tetko (Germany)

Challenges of BigData in chemistry: prediction of melting point based on 300k compounds

15:45-16:15

Coffee - break

Chair of the session – I. Tetko

16:15-17:00

Plenary Lecture 3 /              I. Baskin (Russia)

QSAR modeling in material design

17:00-17:30

Key-note Lecture 1 /             T. Madzhidov (Russia)

QSAR approaches for reaction modeling

17:30-18:00

Key-note lecture 2 /           A. Mustafin (Russia)

QSAR- modeling of organic compounds with a pronounced nootropic activity

18:00-18:15

Oral Presentation 1 /           A. Lin (Russia)

Prediction of protective groups reactivity and optimal conditions in catalytic hydrogenation reaction of  deprotection

17:20-17:45

Oral Presentation 2 /           R.Nugmanov (Russia)

Tautomerism prediction: SVM vs ChemAxon, who wins?

October 30, 2015

Chair of the session – A. Tropsha

14:00-17:00

Tutorial /                             I. Tetko (Germany)

Tutorial on QSAR modeling

15:30-16:00

Coffee - break

16:00-17:00

Tutorial /                             I. Tetko (Germany)

Tutorial on QSAR modeling (continue)

17:00-17:15

Oral Presentation 3 /           V. Khajrullina (Russia)

Complementarity of some selenophene derivatives with the topoisomerase-I active site

17:15-17:30

Oral Presentation 4 /           M. Vasiliev (Russia)

Virtual screening of some (-)-cytysine derivatives with a pronounced nootropic activity