Tetko, Igor V.

QSAR without borders

Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, T. I., Baskin, I. I., Varnek, A., Roitberg, A., et al. (2020) · Chemical Society Reviews

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 913

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

Mansouri, K., Abdelaziz, A., Rybacka, A., Roncaglioni, A., Tropsha, A., Varnek, A., Zakharov, A., Worth, A., Richard, A. M., Grulke, C. M., et al. (2016) · Environmental Health Perspectives

Computational Drug Discovery MethodsEffects and risks of endocrine disrupting chemicals

Cited by 375

A renaissance of neural networks in drug discovery

Baskin, I. I., Winkler, D., & Tetko, I. V. (2016) · Expert Opinion on Drug Discovery

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 235

Parvalbumin deficiency affects network properties resulting in increased susceptibility to epileptic seizures

Schwaller, B., Tetko, I. V., Tandon, P., Silveira, D. C., Vreugdenhil, M., Henzi, T., Potier, M.-C., Celio, M. R., & Villa, A. E. P. (2004) · Molecular and Cellular Neuroscience

Epilepsy research and treatmentNeuroscience and Neuropharmacology Research

Cited by 169

Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space

Sosnin, S., Karlov, D., Tetko, I. V., & Fedorov, M. V. (2019) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 102

Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients

Varnek, A., Gaudin, C., Marcou, G., Baskin, I., Pandey, A. K., & Tetko, I. V. (2009) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 86

ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model

Novotarskyi, S., Abdelaziz, A., Sushko, Y., Körner, R., Vogt, J., & Tetko, I. V. (2016) · Chemical Research in Toxicology

Computational Drug Discovery MethodsAnimal testing and alternatives

Cited by 34

Early ADME/T Predictions: Toy or Tool?

Tetko, I. V., & Oprea, T. I. (2008) · Chemoinformatics Approaches to Virtual Screening

Computational Drug Discovery MethodsPharmacogenetics and Drug Metabolism

Cited by 5

Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing

Abdelaziz, A., Sushko, Y., Novotarskyi, S., Korner, R., Brandmaier, S., & Tetko, I. (2015) · Combinatorial Chemistry & High Throughput Screening

Computational Drug Discovery MethodsAnimal testing and alternatives

Cited by 5