Author: Igor V. Tetko

Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients

Jan 6, 2009 - Publication
Two inductive knowledge transfer approaches – multitask learning (MTL) and Feature Net (FN) – have been used to build predictive neural networks (ASNN) and PLS models for 11 t…

Chapter 5.27 Rule-Based Systems to Predict Lipophilicity

Apr 2, 2007 - Publication
An overview of major methods for calculation of lipophilicity of chemical compounds estimated as logarithm of 1-octanol/water partition coefficient, log P, is provided. An interest in the…

A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition

May 20, 2011 - Publication
Prediction of CYP450 inhibition activity of small molecules poses an important task due to high risk of drug–drug interactions. CYP1A2 is an important member of CYP450 superfamily and a…
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OCHEM.eu – Public QSAR framework for modeling PK/PD parameters

May 18, 2011 - Poster
The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsys…