Igor V Tetko (I V Tetko)

Scopus Author ID Loop profile ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 29

Top Topics

Molecular Docking

Acinetobacter Baumannii

Top Venues

Chemical research in toxicology

Journal of chemical information and modeling

Chemical biology & drug design

International journal of molecular sciences

This page only lists publications with an associated author ORCID identifier.

Publications

Igor V Tetko
Tox24 Challenge. Chemical research in toxicology (2024)
Igor V Tetko
Tox24 Challenge. Chemical research in toxicology 37 (6) (2024)
Igor V Tetko
Tox24 Challenge. Chemical research in toxicology (2024)
Igor V Tetko
Tox24 Challenge. Chemical research in toxicology 37 (6) (2024)
Guenter Klambauer, Djork-Arné Clevert, Imran Shah, Emilio Benfenati, Igor V Tetko
Introduction to the Special Issue: AI Meets Toxicology. Chemical research in toxicology 36 (8) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling (2023)
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V Tetko
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling 64 (1) (2023)
Aleksey I Rusanov, Olga A Dmitrieva, Nugzar Zh Mamardashvili, Igor V Tetko
More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins. International journal of molecular sciences 23 (3) (2022)
Larysa O Metelytsia, Diana M Hodyna, Ivan V Semenyuta, Vasyl V Kovalishyn, Sergiy P Rogalsky, Kateryna Yu Derevianko, Volodymyr S Brovarets, Igor V Tetko
Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii . Antibiotics (Basel, Switzerland) 11 (4) (2022)
Igor V Tetko, Günter Klambauer, Djork-Arné Clevert, Imran Shah, Emilio Benfenati
Artificial Intelligence Meets Toxicology. Chemical research in toxicology 35 (8) (2022)
Ivan V Semenyuta, Maria M Trush, Vasyl V Kovalishyn, Sergiy P Rogalsky, Diana M Hodyna, Pavel Karpov, Zhonghua Xia, Igor V Tetko, Larisa O Metelytsia
Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR Acinetobacter Baumannii and Staphylococcus Aureus. International journal of molecular sciences 22 (2) (2021)
Nicole C Kleinstreuer, Igor V Tetko, Leihong Wu
Introduction to Special Issue: Computational Toxicology. Chemical research in toxicology 34 (2) (2021)
Nicole C Kleinstreuer, Leihong Wu, Igor V Tetko
Computational Toxicology. Chemical research in toxicology 33 (3) (2021)
Leihong Wu, Ruili Huang, Igor V Tetko, Zhonghua Xia, Joshua Xu, Leihong Wu
Trade-off Predictivity and Explainability for Machine-Learning Powered Predictive Toxicology: An in-Depth Investigation with Tox21 Data Sets. Chemical research in toxicology 34 (2) (2021)
Igor V Tetko, Pavel Karpov, Ruud Van Deursen, Guillaume Godin
State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis. Nature communications 11 (1) (2020)
Ctibor Škuta, Isidro Cortes-Ciriano, Wim Dehaen, P Kříž, Gerard van Westen, Igor V Tetko, Andreas Bender, Daniel Svozil
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping. Journal of cheminformatics 12 (1) (2020)
Ekaterina L Ratkova, Maciej Dawidowski, Valeria Napolitano, Grzegorz Dubin, Roberto Fino, Michael S Ostertag, Michael Sattler, Grzegorz Popowicz, Igor V Tetko
Water envelope has a critical impact on the design of protein-protein interaction inhibitors. Chemical communications (Cambridge, England) 56 (31) (2020)
Maria M Trush, Vasyl V Kovalishyn, Diana Hodyna, Olexandr V Golovchenko, Svitlana Chumachenko, Igor V Tetko, Volodymyr S Brovarets, Larysa Metelytsia
In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii. Chemical biology & drug design 95 (6) (2020)
Zhonghua Xia, Pavel Karpov, Grzegorz Popowicz, Igor V Tetko
Focused Library Generator: case of Mdmx inhibitors. Journal of computer-aided molecular design 34 (7) (2019)
Sergey Sosnin, Dmitry S Karlov, Igor V Tetko, Maxim V Fedorov
Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space. Journal of chemical information and modeling 59 (3) (2019)
Dmitry S Karlov, Sergey Sosnin, Igor V Tetko, Maxim V Fedorov
Chemical space exploration guided by deep neural networks. RSC advances 9 (9) (2019)
Sergey Sosnin, Mariia Vashurina, Michael Withnall, Pavel Karpov, Maxim Fedorov, Igor V Tetko
A Survey of Multi-task Learning Methods in Chemoinformatics. Molecular informatics 38 (4) (2018)
Dipan Ghosh, Uwe Koch, Kamyar Hadian, Michael Sattler, Igor V Tetko
Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays. Journal of chemical information and modeling 58 (5) (2018)
Vasyl Kovalishyn, Julie Grouleff, Ivan Semenyuta, Vitaliy O Sinenko, Sergiy R Slivchuk, Diana Hodyna, Volodymyr Brovarets, Volodymyr Blagodatny, Gennady Poda, Igor V Tetko, Larysa Metelytsia
Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing. Chemical biology & drug design 92 (1) (2018)
Michael Withnall, Hongming Chen, Igor V Tetko
Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective. ChemMedChem 13 (6) (2017)