QSAR Modeling: Where have you been? Where are you going to?
Artem Cherkasov;Eugene N. Muratov;Eugene N. Muratov;Denis Fourches;Alexandre Varnek.
Journal of Medicinal Chemistry (2014)
1433 Citations
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
Denis Fourches;Eugene N. Muratov;Alexander Tropsha.
Journal of Chemical Information and Modeling (2010)
659 Citations
Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
Olexandr Isayev;Denis Fourches;Eugene N. Muratov;Corey Oses.
Chemistry of Materials (2015)
305 Citations
QSAR without borders
Eugene N. Muratov;Eugene N. Muratov;Jürgen Bajorath;Robert P. Sheridan;Igor V. Tetko.
Chemical Society Reviews (2020)
283 Citations
Comprehensive characterization of the Published Kinase Inhibitor Set
Jonathan M. Elkins;Vita Fedele;Marta Szklarz;Kamal R. Abdul Azeez.
Nature Biotechnology (2016)
275 Citations
Does rational selection of training and test sets improve the outcome of QSAR modeling
Todd M. Martin;Paul Harten;Douglas M. Young;Eugene N. Muratov;Eugene N. Muratov.
Journal of Chemical Information and Modeling (2012)
266 Citations
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
Kamel Mansouri;Ahmed Abdelaziz;Aleksandra Rybacka;Alessandra Roncaglioni.
Environmental Health Perspectives (2016)
257 Citations
Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints
Olexandr Isayev;Denis Fourches;Eugene N. Muratov;Corey Oses.
arXiv: Materials Science (2014)
250 Citations
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.
Iurii Sushko;Sergii Novotarskyi;Robert Körner;Anil Kumar Pandey.
Journal of Chemical Information and Modeling (2010)
228 Citations
Predicting Drug-induced Hepatotoxicity Using QSAR and Toxicogenomics Approaches
Yen Low;Takeki Uehara;Yohsuke Minowa;Hiroshi Yamada.
Chemical Research in Toxicology (2011)
208 Citations