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PubChem is a freely available database that contains the chemical structures and biological activities for over 19 million small organic molecules. Developed in 2004 by the NCBI, it contains structure, nomenclature, and physico-chemical data. PubChem is organized into three linked databases: PubChem Substance, PubChem Compound, and PubChem ...
Jan 1, 2008 · PubChem is an open repository for experimental data identifying the biological activities of small molecules. PubChem contents include more than: 1000 bioassays, 28 million bioassay test outcomes, 40 million substance contributed descriptions, and 19 million unique compound structures contributed from over 70 depositing organizations.
Jan 1, 2008 · PubChem is an open repository for experimental data identifying the biological activities of small molecules. PubChem contents include more than: 1000 bioassays, 28 million bioassay test outcomes, 40 million substance contributed descriptions, and 19 million unique compound structures contributed from over 70 depositing organizations.
Jun 15, 2022 · PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public chemical database at the U.S. National Institutes of Health. Visited by millions of users every month, it plays a role as a key chemical information resource for biomedical research communities.
Dec 1, 2010 · PubChem consists of three interconnected databases: Substance, BioAssay and Compound. The Substance database contains the descriptions of molecules (primarily small molecules) provided by depositors; the BioAssay database contains the screening results of substances by assay providers; and the Compound database contains unique chemical structures derived by structural standardization of the records in the Substance database.
Nov 1, 2014 · A bibliometric analysis of PubChem applications is presented by reviewing 1132 research articles. The massive volume of chemical structure and bioactivity data in PubChem and its online services have been used globally in various fields including chemical biology, medicinal chemistry and informatics research. PubChem supports drug discovery in ...
Glyphosate was introduced as Roundup in 1970s. It is a nonselective herbicide which gained prominence in modern agriculture after the introduction of genetically modified crops which enabled elimination of weeds without harming the crop. Glyphosate is the active ingredient in hundreds of crop protection products currently approved.
Nov 1, 2014 · PubChem supports drug discovery in many aspects such as lead identification and optimization, compound–target profiling, polypharmacology studies and unknown chemical identity elucidation. PubChem has also become a valuable resource for developing secondary databases, informatics tools and web services.
Sep 1, 2022 · In PubChem, two random samples with each 50 PubChem compounds exclusively sourced either from Patentscope or SureChEMBL were generated. The validity check of these sample PubChem compounds led to the result that the extraction process resulted in erroneous compounds in 60 % of the cases. Although this result is based on a sample, it suggests ...
Dec 1, 2010 · PubChem is a public repository of small molecules and their biological properties. Currently, it contains more than 25 million unique chemical structures and 90 million bioactivity outcomes associated with several thousand macromolecular targets. To address the potential utility of this public resource for drug discovery, we systematically ...
