Tetko IV, Engkvist O, Chen H (2016)
Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?
Future medicinal chemistry, Issue 15, Vol. 8, 1801-1806
DOI: 10.4155/fmc-2016-0163, PubMed: 27627830

Tetko IV, Engkvist O, Koch U, Reymond JL, Chen H (2016)
BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry.
Molecular informatics, Issue 11-12, Vol. 35, 615-621
DOI: 10.1002/minf.201600073, PubMed: 27464907

Baskin II, Winkler D, Tetko IV (2016)
A renaissance of neural networks in drug discovery.
Expert opinion on drug discovery, Issue 8, Vol. 11, 785-95
DOI: 10.1080/17460441.2016.1201262, PubMed: 27295548

Novotarskyi S, Abdelaziz A, Sushko Y, Körner R, Vogt J, Tetko IV (2016)
ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model.
Chemical research in toxicology, Issue 5, Vol. 29, 768-75
DOI: 10.1021/acs.chemrestox.5b00481, PubMed: 27120770

Brenke JK, Salmina ES, Ringelstetter L, Dornauer S, Kuzikov M, Rothenaigner I, Schorpp K, Giehler F, Gopalakrishnan J, Kieser A, Gul S, Tetko IV, Hadian K (2016)
Identification of Small-Molecule Frequent Hitters of Glutathione S-Transferase-Glutathione Interaction.
Journal of biomolecular screening, Issue 6, Vol. 21, 596-607
DOI: 10.1177/1087057116639992, PubMed: 27044684

Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, Zakharov A, Worth A, Richard AM, Grulke CM, Trisciuzzi D, Fourches D, Horvath D, Benfenati E, Muratov E, Wedebye EB, Grisoni F, Mangiatordi GF, Incisivo GM, Hong H, Ng HW, Tetko IV, Balabin I, Kancherla J, Shen J, Burton J, Nicklaus M, Cassotti M, Nikolov NG, Nicolotti O, Andersson PL, Zang Q, Politi R, Beger RD, Todeschini R, Huang R, Farag S, Rosenberg SA, Slavov S, Hu X, Judson RS (2016)
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.
Environmental health perspectives, Issue 7, Vol. 124, 1023-33
DOI: 10.1289/ehp.1510267, PubMed: 26908244

Tetko IV, M Lowe D, Williams AJ (2016)
The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS.
Journal of cheminformatics, Vol. 8, 2
DOI: 10.1186/s13321-016-0113-y, PubMed: 26807157

Tetko IV, Varbanov HP, Galanski MS, Talmaciu M, Platts JA, Ravera M, Gabano E (2016)
Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches.
Journal of inorganic biochemistry, Vol. 156, 1-13
DOI: 10.1016/j.jinorgbio.2015.12.006, PubMed: 26717258