Muratov, Eugene N.

QSAR Modeling: Where have you been? Where are you going to?

Cherkasov, A., Muratov, E. N., Fourches, D., Varnek, A., Baskin, I. I., Cronin, M., Dearden, J., Gramatica, P., Martin, Y. C., Todeschini, R., et al. (2014) · Journal of Medicinal Chemistry

Computational Drug Discovery MethodsAdvanced Chemical Physics Studies

Cited by 2,164

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

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

Fourches, D., Muratov, E., & Tropsha, A. (2010) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 832

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

Comprehensive characterization of the Published Kinase Inhibitor Set

Elkins, J. M., Fedele, V., Szklarz, M., Abdul Azeez, K. R., Salah, E., Mikolajczyk, J., Romanov, S., Sepetov, N., Huang, X.-P., Roth, B. L., et al. (2016) · Nature Biotechnology

Computational Drug Discovery MethodsProtein Kinase Regulation and GTPase Signaling

Cited by 323

Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints

Isayev, O., Fourches, D., Muratov, E. N., Oses, C., Rasch, K., Tropsha, A., & Curtarolo, S. (2015) · Chemistry of Materials

Machine Learning in Materials ScienceComputational Drug Discovery Methods

Cited by 300

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

Fourches, D., Muratov, E., & Tropsha, A. (2016) · Journal of Chemical Information and Modeling

Research Data Management PracticesComputational Drug Discovery Methods

Cited by 294

A critical overview of computational approaches employed for COVID-19 drug discovery

Muratov, E. N., Amaro, R., Andrade, C. H., Brown, N., Ekins, S., Fourches, D., Isayev, O., Kozakov, D., Medina-Franco, J. L., Merz, K. M., et al. (2021) · Chemical Society Reviews

Computational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Research

Cited by 206

Data Set Modelability by QSAR

Golbraikh, A., Muratov, E., Fourches, D., & Tropsha, A. (2014) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 152

Alarms about structural alerts

Alves, V. M., Muratov, E. N., Capuzzi, S. J., Politi, R., Low, Y., Braga, R. C., Zakharov, A. V., Sedykh, A., Mokshyna, E., Farag, S., et al. (2016) · Green Chemistry

Computational Drug Discovery MethodsEnvironmental Toxicology and Ecotoxicology

Cited by 133

Universal Approach for Structural Interpretation of QSAR/QSPR Models

Polishchuk, P. G., Kuz'min, V. E., Artemenko, A. G., & Muratov, E. N. (2013) · Molecular Informatics

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 76

Per Aspera Ad Astra : Application of Simplex Qsar Approach in Antiviral Research

Muratov, E. N., Artemenko, A. G., Varlamova, E. V., Polischuk, P. G., Lozitsky, V. P., Fedchuk, A. S., Lozitska, R. L., Gridina, T. L., Koroleva, L. S., Sil’nikov, V. N., et al. (2010) · Future Medicinal Chemistry

Computational Drug Discovery MethodsGraph theory and applications

Cited by 64

Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs

Alves, V. M., Hwang, D., Muratov, E., Sokolsky-Papkov, M., Varlamova, E., Vinod, N., Lim, C., Andrade, C. H., Tropsha, A., & Kabanov, A. (2019) · Science Advances

Computational Drug Discovery MethodsNanoparticle-Based Drug Delivery

Cited by 56

Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors

Capuzzi, S. J., Sun, W., Muratov, E. N., Martínez-Romero, C., He, S., Zhu, W., Li, H., Tawa, G., Fisher, E. G., Xu, M., et al. (2018) · Journal of Medicinal Chemistry

Viral Infections and Outbreaks ResearchComputational Drug Discovery Methods

Cited by 35