Fourth Kazan Summer School-Conference on Chemoinformatics (KSSCI2019)


PROGRAM

Download Program of KSSCI2019 (pdf)

Download Program of Markovnikov Congress (pdf)

June 24, 2019
8:00-17:00 REGISTRATION IN GRAND HOTEL KAZAN (1 Peterburgskaya St., Kazan, Russia)
09:00-09:20 Markovnikov Congress opening
9:20-13:10 Plenary and keynote lectures of Markovnikov Congress
13:10-14:30 Lunch
The KSSCI2019 will be held in A.M. Butlerov Institute of Chemistry, 1/29 Lobachevskogo str., hall 308
14:30-14:35 Opening of KSSCI2019
14:35-15:05 Lecture 1 / A. Oganov "Crystal structure prediction and discovery of novel materials"
15:05-15:35 Lecture 2 / I. Baskin "Generation of Chemical Structures: History and Current Trends"
15:35-16:00 Key-Note Lecture 1 / T. Madzhidov "Model Validation in Chemoinformatics: How to Select Best Performing Model"
16:00-16:30 Coffee - break
16:30-16:55 Key-Note Lecture 2 / P. Polishchuk "HTS-likeness: revisiting the Lipinski rule"
16:55-17:20 Key-Note Lecture 3 / D. Osolodkin "Draft Mapping of Antiviral Chemical Space"
17:20-17:35 Oral 1 / L. Fisk "To model or not to model"
17:35-17:45 Short Oral 1 / F. Bonachera "Automatized workflow for data visualization, analysis and modeling with Generative Topographic Mapping"
17:45-17:55 Short Oral 2 / E. Martynko "Prediction of sensor properties of polymeric membrane electrodes with QSPR modelling"
17:55-18:05 Short Oral 3 / D. Zankov "Equation-constrained learning in the case of the Arrhenius equation"
June 25, 2019
8:00-17:00 REGISTRATION IN GRAND HOTEL KAZAN (1 Peterburgskaya St., Kazan, Russia)
9:00-12:50 Plenary and keynote lectures of Markovnikov Congress
12:50-14:30 Lunch
The KSSCI2019 will be held in A.M. Butlerov Institute of Chemistry, 1/29 Lobachevskogo str., hall 308
14:30-15:00 Lecture 3 / H. Senderowitz "Molecular Dynamics Simulations: Theory and Applications in Drug Design"
15:00-15:25 Key-Note Lecture 4 / R. Stote "Structural Dynamics and Function of Nuclear Receptor Proteins: Insights from Molecular Dynamics Simulations"
15:25-15:50 Key-Note Lecture 5 / D. Filimonov "In silico Pharmacology: from Finding Targets to de novo Drug Design"
15:50-16:15 Key-Note Lecture 6 / G. Marcou "Predictive QSAR Models To Screen Potential Hazardous Chemicals Under REACH and Applicability Within The Industrial Context"
16:15-16:25 Break
16:25-16:35 Short Oral 4 / P. Sidorov "Antimalarial mode of action database: data selection, verification and chemical space analysis"
16:35-16:45 Short Oral 5 / N. Biziukova "Automated analysis of abstracts and publications in NCBI PubMed to assess their relevance to a scientific topic related to HIV-1"
16:45-16:55 Short Oral 6 / Sh. Shermukhamedov "Quantum chemical modelling of a bridge assisted electron transfer across the Au(111)/alkanethiols/RTIL interface"
16:55-17:05 Short Oral 7 / N. Ionov "Associations of PhysChem properies and medical applications for the FDA-approved drugs derived from natural products"
17:05-17:15 Short Oral 8 / A. Semenov "Quantum-chemical calculations of the relative stability of indium and gallium complexes with dithiocarbamate chelation units: hint for evaluation of metal coordination environment in metal-polymeric complexes"
17:15-17:25 Short Oral 9 / A. Rakhimbekova "Search of optimal approaches for defining applicability domain of models for predicting properties of chemical reactions"
17:30-19:00 Poster Session
June 26, 2019
8.00-11.00 REGISTRATION IN GRAND HOTEL KAZAN (1 Peterburgskaya St., Kazan, Russia)
9:00-11:50 Plenary and keynote lectures of Markovnikov Congress
11:50-13:00 Lunch
13:00 Social Program
June 27, 2019
8.00-15.00 REGISTRATION IN GRAND HOTEL KAZAN (1 Peterburgskaya St., Kazan, Russia)
9:00-12:50 Plenary and keynote lectures of Markovnikov Congress
12:50-14:30 Lunch
The KSSCI2019 will be held in A.M. Butlerov Institute of Chemistry, 1/29 Lobachevskogo str., hall 308
14:30-16:00 Tutorial 1 / R. Stote "Tutorial on Molecular Dynamics"
16:00-16:30 Coffee-break
16:30-18:00 Tutorial 2 / R. Nugmanov "Tutorial on Data processing"
June 28, 2019
9:00-12:50 Plenary and keynote lectures of Markovnikov Congress
12:50-13:20 Closing of Markovnikov Congress