Igor V. Tetko
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| van Deursen R, Ertl P, Tetko IV, et al. (2020) GEN: highly efficient SMILES explorer using autodidactic generative examination networks. Journal of Cheminformatics. 12: 22 |
| Muratov EN, Bajorath J, Sheridan RP, et al. (2020) QSAR without borders. Chemical Society Reviews |
| Trush MM, Kovalishyn V, Hodyna D, et al. (2020) In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii. Chemical Biology & Drug Design |
| Škuta C, Cortés-Ciriano I, Dehaen W, et al. (2020) QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping Journal of Cheminformatics. 12 |
| Karpov P, Godin G, Tetko IV. (2020) Transformer-CNN: Swiss knife for QSAR modeling and interpretation Journal of Cheminformatics. 12 |
| Xia Z, Karpov P, Popowicz G, et al. (2019) Focused Library Generator: case of Mdmx inhibitors. Journal of Computer-Aided Molecular Design |
| Karlov DS, Sosnin S, Tetko IV, et al. (2019) Chemical space exploration guided by deep neural networks Rsc Advances. 9: 5151-5157 |
| Sosnin S, Karlov D, Tetko IV, et al. (2018) A Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space. Journal of Chemical Information and Modeling |
| Sosnin S, Vashurina M, Withnall M, et al. (2018) A Survey of Multi-Task Learning Methods in Chemoinformatics. Molecular Informatics |
| Gimadiev T, Madzhidov T, Tetko I, et al. (2018) Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis. Molecular Informatics |