Autumn
School of Chemoinformatics in Tokyo, 2011
Program
November
15
Opening remarks: Prof. Kimito Funatsu (The
University of Tokyo)
[Tutorial
session]
Chairman: Prof. Schneider
10:00~11:00 Prof.
Jürgen Bajorath (Bonn University)
“Extracting
SAR Information From Activity Landscape Representations”
11:00~12:00 Prof.
Yasushi Okuno (Kyoto University)
“Integration of
Chemoinformatics and Bioinformatics for Drug Discovery”
12:00~13:30 Lunch
Chairman: Prof. Gasteiger
13:30~14:30 Prof.
Gisbert Schneider (ETH Zürich)
“From Fragments to Drugs: Designing the Molecular World”
14:30~15:30 Dr.
Anthony Nicholls (OpenEye Scientific Software)
“Robust
QSAR”
15:30~16:00 Break
[Expert session
by Software Venders]
Chairman: Prof. Varnek
16:00~16:30 Dr.
Robert Fraczkiewicz (Simulation Plus)
“Estimated Quantum
Descriptors, Artificial Neural Networks, and Genetic
Algorithm
Based Feature Selection in Predicting Metabolism and Toxicity”
16:30~17:00 Dr.
Marcus Gastreich (BioSolveIT)
“Novel
Binding Affinity Estimates in Drug Discovery With a Focus on Lead Optimization”
November
16
[Tutorial
session]
Chairman: Prof. Varmuza
10:00~11:00 Dr.
Kiyoshi Hasegawa (Chugai Pharm.)
“Advanced PLS Techniques
in Chemoinformatics Studies”
11:00~12:00 Prof.
Johann Gasteiger (Erlangen-Nuernberg University, Molecular Network)
“Prediction
of Toxicity and Metabolism of Chemicals”
12:00~13:30 Lunch
Chairman: Prof. Bajorath
13:30~14:30 Prof.
Kurt Varmuza (Vienna University of Technology)
“Evaluation of Empirical Chemometric
Models for Calibration
and Classification”
PDF of 4-page abstract | PDF of lecture (840 KB)
14:30~15:30 Prof.
Alexandre Varnek (Strasbourg University)
“Chemical
Space: Design, Visualization and Navigation”
15:30~16:00 Break
[Expert
session by Software Venders]
Chairman: Prof. Funatsu
16:00~16:30 Dr. Robert Brown (Accerlys)
“Quantifying
Model Errors Using Similarity to Training Data”
16:30~17:00 Dr. Murco Ringnalda
(Schrödinger)
“Roadmap
of Schrödinger's Chemoinformatics Solutions”
Closing remarks: Prof. Yasushi Okuno (Kyoto
University)