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Frontiers in Toxicology|May 7, 2025
Elucidating the mechanistic relationships between peroxisome proliferator-activated receptors and hepatic fibrosis using the ROBOKOP knowledge graphKaramarie Fecho, Nyssa Tucker, Jon-Michael Beasley, et al.Journal of Molecular Biology|August 24, 2001
Four-body potentials reveal protein-specific correlations to stability changes caused by hydrophobic core mutationsC W Carter, B C LeFebvre, S A Cammer, et al.Journal of Medicinal Chemistry|May 17, 2002
Antitumor agents. 213. Modeling of epipodophyllotoxin derivatives using variable selection k nearest neighbor QSAR methodZhiyan Xiao, Yun-De Xiao, Jun Feng, et al.Research Square|June 4, 2026
Machine Learning Models with a Reject Option to Minimize Prediction Error: Application to Optical Properties of Dye MoleculesJames Wellnitz, Travis Maxfield, Matthew Hart, 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.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.Pageof 33,890