Igor V. Tetko
Helmholtz Zentrum München(DE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Analytical Chemistry and Chromatography, Metabolomics and Mass Spectrometry Studies, Neural Networks and Applications
Most-Cited Works
- → Virtual Computational Chemistry Laboratory – Design and Description(2005)1,493 cited
- → Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds(2015)1,042 cited
- → The Fusarium graminearum Genome Reveals a Link Between Localized Polymorphism and Pathogen Specialization(2007)907 cited
- → QSAR without borders(2020)816 cited
- → Neural network studies. 1. Comparison of overfitting and overtraining(1995)671 cited
- → Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information(2011)660 cited
- → Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on more than 96,000 Compounds