Tetko IV, Klambauer G, Clevert DA, Shah I, Benfenati E (2022)
Artificial Intelligence Meets Toxicology.
Chemical research in toxicology, Issue 8, Vol. 35, 1289-1290
DOI: 10.1021/acs.chemrestox.2c00196, PubMed: 35965447

Metelytsia LO, Hodyna DM, Semenyuta IV, Kovalishyn VV, Rogalsky SP, Derevianko KY, Brovarets VS, Tetko IV (2022)
Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii.
Antibiotics (Basel, Switzerland), Issue 4, Vol. 11
DOI: 10.3390/antibiotics11040491, PubMed: 35453241

Rusanov AI, Dmitrieva OA, Mamardashvili NZ, Tetko IV (2022)
More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins.
International journal of molecular sciences, Issue 3, Vol. 23
DOI: 10.3390/ijms23031201, PubMed: 35163123

Ksenofontov AA, Lukanov MM, Bocharov PS, Berezin MB, Tetko IV (2022)
Deep neural network model for highly accurate prediction of BODIPYs absorption.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Issue Pt 2, Vol. 267, 120577
DOI: 10.1016/j.saa.2021.120577, PubMed: 34776377

Ghosh D, Koch U, Hadian K, Sattler M, Tetko IV (2022)
Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism.
Molecular informatics, Issue 3, Vol. 41, e2100151
DOI: 10.1002/minf.202100151, PubMed: 34676998