Program
The Book of Abstracts is available in PDF .
Program of
the Second Kazan Summer School in Chemoinformatics
| TIME | July 6, 2015 | TIME | July 7, 2015 | TIME | July 8, 2015 | TIME | July 9, 2015 |
|---|---|---|---|---|---|---|---|
Chair - I. Gasteiger | Chair - A. Tropsha | Chair - A. Varnek | |||||
9:00- 14:00 | Registration | 9:00- 9:45 | Plenary Lecture 5/ H. Senderowitz (Israel) "Statistical Modeling in Material Sciences" | 9:00- 9:45 | Plenary Lecture 8 /T.Langer (Austria) "Chemical Feature-Based 3D Pharmacophore Models For Drug Design: Current And Future Aspects" | 9:00- 9:25 | Key-note Lecture 3 / P. Polischuk (Ukraine) "Applications of the Mixtures Representation Approach in QSAR Modeling" |
9:45- 10:30 | Plenary Lecture 6 / J. Aires de Sousa (Portugal) "Machine learning with large datasets of quantum chemistry calculations" | 9:45- 10:30 | Plenary Lecture 9 / I. Baskin (Russia) "3D QSAR: Achievements and Perspectives" | 9:25- 9:50 | Key-note Lecture 4 / B. Creton (France) "Structure-Property modelling in the oil industry" | ||
9:50- 10:15 | Key-note Lecture 5 / T. Madzhidov (Russia) "CGR approach to reaction mining" | ||||||
10:30- 11:00 | Coffee - break | 10:30- 11:00 | Coffee - break | 10:15- 11:05 | Coffee - break | ||
Chair - T.Langer | Chair - H.Senderowitz | Chair - J.Aires de Sousa | |||||
11:00- 11:45 | Plenary Lecture 7 / I. Tetko (Germany) "Prediction-driven Matched Molecular Pairs to interpret and compare QSPR/QSRR models" | 11:00- 11:45 | Plenary Lecture 10 / A.Tropsha (USA) "Current trends in QSAR Modeling" | 11:05- 11:30 | Key-note Lecture 6 / V. Solov'ev (Russia) "QSPR Models for Halogen Bond Strength" | ||
11:45- 11:55 | Oral 1 D.Shulga (Russia) “Perspectives of direct modeling of halogen bonding in | 11:45- 12:10 | Key-note Lecture 2 / D. Horvath (France) "Conformational Sampling & Docking: State-of-the-art and Challenges" | 11:30- 11:55 | Key-note Lecture 7 / G. Marcou (France) "A Measure for QSAR Modelability and for Data Organization" | ||
11:55- 12:05 | Oral 2 V.B.Siramshetty (Germany) “Potential drug repositioning opportunities for ebola | ||||||
12:05- 12:15 | Oral 3 O.Tarasova (Russia) “Application of the large-scale database to the QSAR | 11:55- 12:40 | Plenary Lecture 11 / V. Poroikov (Russia) "Drug Discovery: Science, Art, Business" | ||||
12:15- 12:25 | Oral 4 P.Sidorov (France) “Mappability of Drug-like Space: towards a | ||||||
12:30- 14:30 | Lunch | 12:10- 14:30 | Lunch | 12:40- 13:00 | Closing Ceremony | ||
Chair - A.Varnek | Chair - T.Madzhidov | Chair - T.Madzhidov | |||||
14:00- 14:15 | Opening Ceremony | 14:30- 15:30 | Tutorial 1/ D.Erokhin, V.-P. Hyuttinen, T.Khristova (CAS, USA) "CAS SciFinder - Nr. 1 Search Tool for Chemistry and Life Science Information" | 14:30- 16:00 | Tutorial 3 / T.Langer (Inte:Ligand, Germany) "LigandScout - efficient tool for pharmacophore modeling" | 15:00- 19:30 | Excursion |
14:15- 14:35 | Plenary Lecture 1 / I. Antipin (Russia), "Kazan School of Chemistry" | ||||||
14:35- 15:20 | Plenary Lecture 2 / J.Gasteiger (Germany) "Solved and Unsolved Problems in Chemo-informatics" | ||||||
15:20- 15:50 | Coffee - break | 15:30- 16:00 | Coffee - break | 16:00- 16:30 | Coffee - break | ||
Chair - I. Tetko | Chair - T.Madzhidov | Chair - T.Madzhidov | |||||
15:50- 16:35 | Plenary Lecture 3 / A. Varnek (France) “Chemical Space paradigm in Chemoinfor-matics” | 16:00- 17:00 | Tutorial 2/ A. Khudoshin (Elsevier, Niederlands) "How to manage information chalanges in chemistry and medicinal chemistry?“ | 16:30- 18:00 | Tutorial 4 / M. Gastreich (BioSolveIT, Germany) "Staying Critical All the Way: Where to Pay Extra Attention in Lead Generation and Optimization" | ||
16:35- 17:20 | Plenary Lecture 4 / V.Tkachenko (UK) "Chemical databasing. State of the art and current challenges" | ||||||
17:20- 17:45 | Key-note Lecture 1 / V. Palyulin (Russia) "Molecular Field Topology Analysis as an Advanced Tool for QSAR/QSPR Studies" | 17:00- 19:00 | Poster Session /Coffee Break | ||||
18:00- 21:00 | Welcome- Party |
