Han Z, Xia Z, Xia J, Tetko IV, Wu S (2024) The state-of-the-art machine learning model for Plasma Protein Binding Prediction: computational modeling with OCHEM and experimental validation. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 106946 DOI: 10.1016/j.ejps.2024.106946, PubMed: 39490636 |
Tetko IV (2024) Tox24 Challenge. Chemical research in toxicology, Issue 6, Vol. 37, 825-826 DOI: 10.1021/acs.chemrestox.4c00192, PubMed: 38769907 |
Hartog PBR, Krüger F, Genheden S, Tetko IV (2024) Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition. Journal of cheminformatics, Issue 1, Vol. 16, 39 DOI: 10.1186/s13321-024-00824-1, PubMed: 38576047 |
Sturla S, Dai J, Kraegeloh A, Normura D, Tetko I, Wang Y, Serrano J (2024) Invitation to Apply or Nominate for Membership in the Early Career Board of Chemical Research in Toxicology. Chemical research in toxicology, Issue 2, Vol. 37, 127-128 DOI: 10.1021/acs.chemrestox.3c00415, PubMed: 38369925 |
Hunklinger A, Hartog P, Šícho M, Godin G, Tetko IV (2024) The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge. SLAS discovery : advancing life sciences R & D, Issue 2, Vol. 29, 100144 DOI: 10.1016/j.slasd.2024.01.005, PubMed: 38316342 |
Voinarovska V, Kabeshov M, Dudenko D, Genheden S, Tetko IV (2024) When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling, Issue 1, Vol. 64, 42-56 DOI: 10.1021/acs.jcim.3c01524, PubMed: 38116926 |