Karlov DS, Sosnin S, Tetko IV, Fedorov MV (2019)
Chemical space exploration guided by deep neural networks.
RSC advances, Issue 9, Vol. 9, 5151-5157
DOI: 10.1039/c8ra10182e, PubMed: 35514634

Gasser A, Chen YW, Audebrand A, Daglayan A, Charavin M, Escoubet B, Karpov P, Tetko I, Chan MWY, Cardinale D, Désaubry L, Nebigil CG (2019)
Prokineticin Receptor-1 Signaling Inhibits Dose- and Time-Dependent Anthracycline-Induced Cardiovascular Toxicity Via Myocardial and Vascular Protection.
JACC. CardioOncology, Issue 1, Vol. 1, 84-102
DOI: 10.1016/j.jaccao.2019.06.003, PubMed: 34396166

Sosnin S, Karlov D, Tetko IV, Fedorov MV (2019)
Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space.
Journal of chemical information and modeling, Issue 3, Vol. 59, 1062-1072
DOI: 10.1021/acs.jcim.8b00685, PubMed: 30589269

Sosnin S, Vashurina M, Withnall M, Karpov P, Fedorov M, Tetko IV (2019)
A Survey of Multi-task Learning Methods in Chemoinformatics.
Molecular informatics, Issue 4, Vol. 38, e1800108
DOI: 10.1002/minf.201800108, PubMed: 30499195

Gimadiev T, Madzhidov T, Tetko I, Nugmanov R, Casciuc I, Klimchuk O, Bodrov A, Polishchuk P, Antipin I, Varnek A (2019)
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis.
Molecular informatics, Issue 4, Vol. 38, e1800104
DOI: 10.1002/minf.201800104, PubMed: 30468317