Prediction of reacting atoms for the major biotransformation reactions of organic xenobiotics

מאת Rudik, Anastasia V., Dmitriev, Alexander V., Lagunin, Alexey A., Filimonov, Dmitry A., Poroikov, Vladimir V.
הוצא לאור ב J Cheminform (2016)

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

מאת Pogodin, Pavel V., Lagunin, Alexey A., Rudik, Anastasia V., Filimonov, Dmitry A., Druzhilovskiy, Dmitry S., Nicklaus, Mark C., Poroikov, Vladimir V.
הוצא לאור ב Front Chem (2018)

CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compounds

מאת Lagunin, Alexey A., Dubovskaja, Varvara I., Rudik, Anastasia V., Pogodin, Pavel V., Druzhilovskiy, Dmitry S., Gloriozova, Tatyana A., Filimonov, Dmitry A., Sastry, Narahari G., Poroikov, Vladimir V.
הוצא לאור ב PLoS One (2018)