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Journal of Medicinal Chemistry|August 5, 1994
HIV-1 reverse transcriptase inhibitor design using artificial neural networksI V Tetko, Tanchuk VYu, N P Chentsova, et al.Journal of Chemical Information and Computer Sciences|August 6, 1998
Application of a pruning algorithm to optimize artificial neural networks for pharmaceutical fingerprintingI V Tetko, A E Villa, T I Aksenova, et al.British Journal of Pharmacology|March 20, 2026
Second-generation prokineticin PKR1 receptor agonists: Advancing cardioprotection against chemotherapy-induced toxicityAnais Audebrand, Simone Brogi, Mustafa Tezeren, et al.Analytical Chemistry|July 16, 1999
Pharmaceutical fingerprinting in phase space. 2. Pattern recognitionI V Tetko, T I Aksenova, A A Patiokha, et al.Journal of Cheminformatics|January 12, 2021
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hoppingC Škuta, I Cortés-Ciriano, W Dehaen, et al.Chemical Communications (Cambridge, England)|March 21, 2020
Water envelope has a critical impact on the design of protein-protein interaction inhibitorsEkaterina L Ratkova, Maciej Dawidowski, Valeria Napolitano, et al.Journal of Chemical Information and Modeling|August 30, 2008
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selectionIgor V Tetko, Iurii Sushko, Anil Kumar Pandey, et al.Journal of Chemical Information and Modeling|March 4, 2008
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformisHao Zhu, Alexander Tropsha, Denis Fourches, et al.Molecular Informatics|July 29, 2016
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated ChemicalsBarun Bhhatarai, Wolfram Teetz, Tao Liu, et al.Nucleic Acids Research|October 16, 2004
The FunCat, a functional annotation scheme for systematic classification of proteins from whole genomesAndreas Ruepp, Alfred Zollner, Dieter Maier, et al.Pageof 15