Ghosh D, Koch U, Hadian K, Sattler M, Tetko IV (2018)
Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays.
Journal of chemical information and modeling, Issue 5, Vol. 58, 933-942
DOI: 10.1021/acs.jcim.7b00574, PubMed: 29667823

Kovalishyn V, Grouleff J, Semenyuta I, Sinenko VO, Slivchuk SR, Hodyna D, Brovarets V, Blagodatny V, Poda G, Tetko IV, Metelytsia L (2018)
Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing.
Chemical biology & drug design, Issue 1, Vol. 92, 1272-1278
DOI: 10.1111/cbdd.13188, PubMed: 29536635

Kovalishyn V, Abramenko N, Kopernyk I, Charochkina L, Metelytsia L, Tetko IV, Peijnenburg W, Kustov L (2018)
Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Vol. 112, 507-517
DOI: 10.1016/j.fct.2017.08.008, PubMed: 28802948

Withnall M, Chen H, Tetko IV (2018)
Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective.
ChemMedChem, Issue 6, Vol. 13, 599-606
DOI: 10.1002/cmdc.201700303, PubMed: 28650584