Dear colleagues!
We are delighted to invite you to take part in the first Summer School on chemoinformatics, which will take place in Kazan, Russia, from 26th to 29th August 2013.
Chemoinformatics is a new and highly demanded multidisciplinary domain of modern chemistry in the intersection of chemistry, biology, mathematics and informatics. The main objectives of this domain are stocking and management of chemical information and its use to create compounds, reactions and materials possessing desired features. Chemoinformatics is widely used to create new drugs for medicinal and veterinary purposes, as well as innovative materials, catalysts, reagents for chemical industry. Despite the large potential demand for specialists in Chemoinformatics, educational programs of this discipline in Russia are not yet quite developed. Only in recent years corresponding programs have been opened in Moscow State University (MSU) and Moscow Institute of Physics and Technology (MIPT), and in 2012 in Kazan Federal University (KFU) the Master program of Chemoinformaitcs has been opened, which is now the third active educational program of Chemoinformatics in the world. Summer School on Chemoinformatics, planned as regular event, aims to create the conditions for training specialists of Chemoinformatics in Russia, as well as to create educational and scientific environment for scientists, pharmaceutical and chemical industry representatives, IT specialists and software developers.
Important dates
15.02.2013 – 25.05.2013 – registration
15.02.2013 – 25.05.2013 – abstract submission
Registration fee – till 01.07.2013
26.08.2013 - 30.08.2013 – Conference days
Please take note, that City’s Day will take place in Kazan 30th August (1008th anniversary). We are delighted to propose you to enjoy the atmosphere of celebrations in Kazan.
REGISTRATION FEE
50 € - for students and PhD students,
100 € - for academic participants,
250 € - for industrial participants.
of Kazan Summer School in Chemoinformatics
Kazan, 2013 Kazan Federal University
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August 25, 2013
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Arrival day |
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13:00-15:00 |
Registration (for Kazan citizens) |
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15:00-19:00 |
Excursion Program |
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August 26, 2013
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8:00-9:00 |
Registration (for other Participants) |
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9:00-9:15 |
Opening ceremony |
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Lecture Session 1 Chairman – V. Poroikov |
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9:15-10:15 |
A. Varnek (Strasbourg, France) |
Chemoinformatics: Basic Concepts and Areas of Application |
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10:15-11:15 |
T. Madzhidov (Kazan, Russia) |
Chemical Databases: Encoding, Storage and Search of Chemical Structures |
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11:15-11:45 |
Coffee-break |
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11:45-12:30 |
V.-P. Hyttinen (CAS, Finland) |
Basics about CAS and SciFinder |
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12:30-14:00 |
Lunch |
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Oral Session 1 Chairman – I. Tetko |
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14:00-14:20 |
V.S. Abrukov (Cheboksary, Russia) |
Artificial neural networks for creation of knowledge bases in scientific and applied research |
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14:20-14:40 |
N.I. Baranova (Saint-Peterburg, Russia) |
QSAR modeling of calculation IC50 for Xa coagulation factor |
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14:40-15:00 |
O.V. Galzitskaya (Moscow, Russia) |
How to Determine the Size of the Nucleus of Protofibrils from the Concentration Dependence of the Lag-Time Of Aggregation? Experimental Application: Insulin and Lys-Pro Insulin |
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15:00-15:30 |
P. Polishchuk (Odessa, Ukraine) |
Development of "non-classical" antagonists of fibrinogen receptors - promising anti-platelet agents |
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15:30-16:00 |
Coffee-break |
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Tutorial Session 1 |
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16:00-18:00 |
G. Marcou, D. Horvath (Strasbourg, France) |
Tutorial with ChemAxon |
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18:00-20:00 |
Welcome party |
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August 27, 2013
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Lecture Session 2 Chairman – T. Langer |
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9:00-10:00 |
I. Baskin (Moscow, Russia) |
Obtaining, Validation and Application of SAR/QSAR Models |
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10:00-11:00 |
A. Tropsha (Chapel Hill, USA) |
SAR/QSAR Modelling: State of the Art |
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11:00-11:30 |
Coffee-break |
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11:30-12:30 |
I. Tetko (Munich, Germany) |
ADMET Predictions |
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12:30-14:00 |
Lunch |
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Tutorial Session 2 |
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14:00-16:00 |
I. Tetko (Munich, Germany) |
Tutorial with QSAR modeling |
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16:00-18:00 |
Poster Session |
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August 28, 2013
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Lecture Session 3 Chairman – A. Tropsha |
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9:00-10:00 |
D. Horvath (Strasbourg, France) |
Conformational Sampling |
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10:00-11:00 |
T. Langer (Strasbourg, France) |
Pharmacophores and Its Applications |
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11:00-11:30 |
Coffee-break |
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11:30-12:30 |
G. Marcou (Strasbourg, France) |
Molecular Docking Methods |
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12:30-14:00 |
Lunch |
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Tutorial Session 3 |
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14:00-16:00 |
S. Bryant (Vienna, Austria) |
Tutorial with LigandScout |
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16:00-16:30 |
Coffee-break |
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16:30-18:30 |
G. Marcou, D. Horvath (Strasbourg, France) |
Tutorial with LeadIt |
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August 29, 2013
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Oral Session 2 Chairman – K. Balakin |
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9:00–9:20 |
S.V. Luschekina (Moscow, Russia) |
Refining Molecular Modeling Techniques: 2-Amino-5-Halomethyl-Thiazolines Esterase Profile Case Study |
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9:20-9:40 |
E. Muratov (Odessa, Ukraine) |
Obscurum per obscurius: computer-aided design of novel antivirals using Simplex approach |
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9:40-10:00 |
L.A. Uroshlev (Moscow, Russia) |
Algorithm for prediction ions in protein structures |
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10:00-10:30 |
V. Solovev (Moscow, Russia) |
Substructural Molecular Fragments in Consensus QSPR Modeling |
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10:30-11:00 |
Coffee-break |
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Lecture Session 4 Chairman – A. Varnek |
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11:00-12:00 |
K. Balakin (Moscow, Russia) |
Computational Mapping Tools for Drug Discovery
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12:00-13:00 |
V. Poroikov (Moscow, Russia) |
Drug Design & Discovery in Academia |
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13:00-13:30 |
Winner award ceremony, Closure of the School |
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Post-School event (all Participants are welcome to attend)
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14:30-16:30 |
N. Krukovskaya (CAS, Russia) |
Basic features how to explore references, structures and reactions with SciFinder |