Anil Kumar Pandey

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Computer-Aided Molecular Design · 2011 · 687 citations · Full text

Pharmacy, Chemistry, Computational Chemistry +16

Critical Assessment of QSAR Models of Environmental Toxicity against <i>Tetrahymena pyriformis:</i> Focusing on Applicability Domain and Overfitting by Variable Selection

Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey et al. · Journal of Chemical Information and Modeling · 2008 · 412 citations · Full text

Pharmacy, Medicinal Chemistry, Toxicology +17

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Chemical Information and Modeling · 2010 · 259 citations · Full text

Pharmacy, Toxicology, Computational Biology +16

Applicability domain for <i>in silico</i> models to achieve accuracy of experimental measurements

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Chemometrics · 2010 · 98 citations

Pharmacy, Toxicology, Computational Biology +15

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

Alexandre Varnek, Cédric Gaudin, Gilles Marcou et al. · Journal of Chemical Information and Modeling · 2009 · 86 citations

Computing, Data Science, Knowledge Transfer +14