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PubChem structure-activity relationship (SAR) clusters.

, , , , , и . J. Cheminformatics, (2015)

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PubChem3D: Similar conformers., , и . J. Cheminformatics, (2011)Database resources of the National Center for Biotechnology Information., , , , , , , , , и 14 other автор(ы). Nucleic Acids Res., 48 (Database-Issue): D9-D16 (2020)CTO: A Community-Based Clinical Trial Ontology and Its Applications in PubChemRDF and SCAIView., , , , , , , , , и . ICBO/ODLS, том 2807 из CEUR Workshop Proceedings, стр. 1-12. CEUR-WS.org, (2020)PubChem3D: Shape compatibility filtering using molecular shape quadrupoles., , и . J. Cheminformatics, (2011)PubChem3D: conformer ensemble accuracy., , и . J. Cheminformatics, (2013)Singleton Property Graph: Adding A Semantic Web Abstraction Layer to Graph Databases., , , , , и . BlockSW/CKG@ISWC, том 2599 из CEUR Workshop Proceedings, CEUR-WS.org, (2019)Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets., , и . J. Cheminformatics, 8 (1): 62:1-62:17 (2016)Predicting drug target interactions using meta-path-based semantic network analysis., , , , , и . BMC Bioinform., (2016)Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis., , и . J. Cheminformatics, (2012)An overview of the PubChem BioAssay resource., , , , , , , , , и . Nucleic Acids Res., 38 (Database-Issue): 255-266 (2010)