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Journal of Biomedical Informatics|October 2, 2020
A semantic similarity based methodology for predicting protein-protein interactions: Evaluation with P53-interacting kinasesSteven Cox, Xialan Dong, Ruhi Rai, et al.Journal of Computer-Aided Molecular Design|September 19, 2003
Rational selection of training and test sets for the development of validated QSAR modelsAlexander Golbraikh, Min Shen, Zhiyan Xiao, et al.Protein Science : a Publication of the Protein Society|May 30, 2006
Structure-based function inference using protein family-specific fingerprintsDeepak Bandyopadhyay, Jun Huan, Jinze Liu, et al.IEEE Transactions on Information Technology in Biomedicine : a Publication of the IEEE Engineering in Medicine and Biology Society|June 24, 2010
Functional neighbors: inferring relationships between nonhomologous protein families using family-specific packing motifsDeepak Bandyopadhyay, Jun Huan, Jinze Liu, et al.Environmental Health Perspectives|October 29, 2010
Use of in vitro HTS-derived concentration-response data as biological descriptors improves the accuracy of QSAR models of in vivo toxicityAlexander Sedykh, Hao Zhu, Hao Tang, et al.Journal of Chemical Information and Modeling|July 26, 2011
Combined application of cheminformatics- and physical force field-based scoring functions improves binding affinity prediction for CSAR data setsJui-Hua Hsieh, Shuangye Yin, Shubin Liu, et al.Science Progress|January 22, 2025
On the importance of data curation for knowledge mining in antiviral researchHolli-Joi Martin, Cleber C Melo-Filho, Alexey V Zakharov, et al.Chemical Research in Toxicology|October 23, 2009
Quantitative structure-activity relationship modeling of rat acute toxicity by oral exposureHao Zhu, Todd M Martin, Lin Ye, et al.Chemical Research in Toxicology|July 16, 2013
Integrative chemical-biological read-across approach for chemical hazard classificationYen Low, Alexander Sedykh, Denis Fourches, et al.Journal of Chemical Information and Modeling|December 19, 2023
BigBind: Learning from Nonstructural Data for Structure-Based Virtual ScreeningMichael Brocidiacono, Paul Francoeur, Rishal Aggarwal, et al.Pageof 26