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Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis.

, , and . J. Cheminformatics, (2012)

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PubChem3D: Similar conformers., , and . J. Cheminformatics, (2011)PubChem BioAssay: 2014 update., , , , , , , , and . Nucleic Acids Res., 42 (Database-Issue): 1075-1082 (2014)PubChem: The NIH Public Repository for Small Molecules and Biological Screening Results., and . BIOCOMP, page 726-728. CSREA Press, (2009)Pathway Analysis for Drug Repositioning Based on Public Database Mining., , , and . Journal of Chemical Information and Modeling, 54 (2): 407-418 (2014)Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review, , , , and . The AAPS Journal, 14 (1): 133--141 (2012)CDD: a Conserved Domain Database for protein classification., , , , , , , , , and 14 other author(s). Nucleic Acids Res., 33 (Database-Issue): 192-196 (2005)The NCBI BioSystems database., , , , , , , , and . Nucleic Acids Res., 38 (Database-Issue): 492-496 (2010)A novel method for mining highly imbalanced high-throughput screening data in PubChem., , and . Bioinform., 25 (24): 3310-3316 (2009)Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection., , , and . J. Chem. Inf. Model., 51 (2): 229-236 (2011)Literature information in PubChem: associations between PubChem records and scientific articles., , , , , , , , and . J. Cheminformatics, 8 (1): 32:1-32:15 (2016)