Karpov P, Godin G, Tetko IV (2020)
Transformer-CNN: Swiss knife for QSAR modeling and interpretation.
Journal of cheminformatics, Issue 1, Vol. 12, 17
DOI: 10.1186/s13321-020-00423-w, PubMed: 33431004

van Deursen R, Ertl P, Tetko IV, Godin G (2020)
GEN: highly efficient SMILES explorer using autodidactic generative examination networks.
Journal of cheminformatics, Issue 1, Vol. 12, 22
DOI: 10.1186/s13321-020-00425-8, PubMed: 33430998

Tetko IV, Engkvist O (2020)
From Big Data to Artificial Intelligence: chemoinformatics meets new challenges.
Journal of cheminformatics, Issue 1, Vol. 12, 74
DOI: 10.1186/s13321-020-00475-y, PubMed: 33339533

Tetko IV, Karpov P, Van Deursen R, Godin G (2020)
State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis.
Nature communications, Issue 1, Vol. 11, 5575
DOI: 10.1038/s41467-020-19266-y, PubMed: 33149154

Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtarolo S, Fourches D, Cohen Y, Aspuru-Guzik A, Winkler DA, Agrafiotis D, Cherkasov A, Tropsha A (2020)
Correction: QSAR without borders.
Chemical Society reviews, Issue 11, Vol. 49, 3716
DOI: 10.1039/d0cs90041a, PubMed: 32441715

Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtarolo S, Fourches D, Cohen Y, Aspuru-Guzik A, Winkler DA, Agrafiotis D, Cherkasov A, Tropsha A (2020)
QSAR without borders.
Chemical Society reviews, Issue 11, Vol. 49, 3525-3564
DOI: 10.1039/d0cs00098a, PubMed: 32356548

Ratkova EL, Dawidowski M, Napolitano V, Dubin G, Fino R, Ostertag MS, Sattler M, Popowicz G, Tetko IV (2020)
Water envelope has a critical impact on the design of protein-protein interaction inhibitors.
Chemical communications (Cambridge, England), Issue 31, Vol. 56, 4360-4363
DOI: 10.1039/c9cc07714f, PubMed: 32195483

Kleinstreuer NC, Tong W, Tetko IV (2020)
Computational Toxicology.
Chemical research in toxicology, Issue 3, Vol. 33, 687-688
DOI: 10.1021/acs.chemrestox.0c00070, PubMed: 32172570

Trush MM, Kovalishyn V, Hodyna D, Golovchenko OV, Chumachenko S, Tetko IV, Brovarets VS, Metelytsia L (2020)
In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii.
Chemical biology & drug design, Issue 6, Vol. 95, 624-630
DOI: 10.1111/cbdd.13678, PubMed: 32168424

Tetko IV, Tropsha A (2020)
Joint Virtual Special Issue on Computational Toxicology.
Journal of chemical information and modeling, Issue 3, Vol. 60, 1069-1071
DOI: 10.1021/acs.jcim.0c00140, PubMed: 32101004

Mansouri K, Kleinstreuer N, Abdelaziz AM, Alberga D, Alves VM, Andersson PL, Andrade CH, Bai F, Balabin I, Ballabio D, Benfenati E, Bhhatarai B, Boyer S, Chen J, Consonni V, Farag S, Fourches D, García-Sosa AT, Gramatica P, Grisoni F, Grulke CM, Hong H, Horvath D, Hu X, Huang R, Jeliazkova N, Li J, Li X, Liu H, Manganelli S, Mangiatordi GF, Maran U, Marcou G, Martin T, Muratov E, Nguyen DT, Nicolotti O, Nikolov NG, Norinder U, Papa E, Petitjean M, Piir G, Pogodin P, Poroikov V, Qiao X, Richard AM, Roncaglioni A, Ruiz P, Rupakheti C, Sakkiah S, Sangion A, Schramm KW, Selvaraj C, Shah I, Sild S, Sun L, Taboureau O, Tang Y, Tetko IV, Todeschini R, Tong W, Trisciuzzi D, Tropsha A, Van Den Driessche G, Varnek A, Wang Z, Wedebye EB, Williams AJ, Xie H, Zakharov AV, Zheng Z, Judson RS (2020)
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Environmental health perspectives, Issue 2, Vol. 128, 27002
DOI: 10.1289/EHP5580, PubMed: 32074470

Dawidowski M, Kalel VC, Napolitano V, Fino R, Schorpp K, Emmanouilidis L, Lenhart D, Ostertag M, Kaiser M, Kolonko M, Tippler B, Schliebs W, Dubin G, Mäser P, Tetko IV, Hadian K, Plettenburg O, Erdmann R, Sattler M, Popowicz GM (2020)
Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity.
Journal of medicinal chemistry, Issue 2, Vol. 63, 847-879
DOI: 10.1021/acs.jmedchem.9b01876, PubMed: 31860309

Abramenko N, Kustov L, Metelytsia L, Kovalishyn V, Tetko I, Peijnenburg W (2020)
A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids.
Journal of hazardous materials, Vol. 384, 121429
DOI: 10.1016/j.jhazmat.2019.121429, PubMed: 31732345

Xia Z, Karpov P, Popowicz G, Tetko IV (2020)
Focused Library Generator: case of Mdmx inhibitors.
Journal of computer-aided molecular design, Issue 7, Vol. 34, 769-782
DOI: 10.1007/s10822-019-00242-8, PubMed: 31677002