Sergii Novotarskyi
Publications by Year
Research Areas
Computational Drug Discovery Methods, Analytical Chemistry and Chromatography, Metabolomics and Mass Spectrometry Studies, Machine Learning in Materials Science, Chemistry and Chemical Engineering
Most-Cited Works
- → Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information(2011)660 cited
- → Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set(2010)252 cited
- → How Accurately Can We Predict the Melting Points of Drug-like Compounds?(2014)101 cited
- → Applicability domain for in silico models to achieve accuracy of experimental measurements(2010)98 cited
- → Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)(2013)58 cited
- → Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process(2014)57 cited
- → Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions(2013)57 cited
- → A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition(2011)52 cited
- → ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model(2016)34 cited