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- PubChem - an overview | ScienceDirect Topics
PubChem PubChem (Kim, 2016; Kim et al , 2016a; Wang et al , 2017) is a public chemical information resource, developed and maintained by the National Center for Biotechnology Information (NCBI) at the National Library of Medicine (NLM), an institute within the U S National institutes of Health (NIH)
- PubChem: Integrated Platform of Small Molecules and Biological . . .
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
- PubChem: Integrated Platform of Small Molecules and Biological . . .
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
- PubChem Protein, Gene, Pathway, and Taxonomy Data . . . - ScienceDirect
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
- PubChem as a public resource for drug discovery - ScienceDirect
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
- Molecular fingerprint similarity search in virtual screening
PubChem fingerprint [12]: this fingerprint, with 881 structural keys covers a wide range of different substructures and features It is the fingerprint used by PubChem for similarity searching and neighboring Other than PubChem’s own code, it is also implemented in ChemFP [13] (although deemed “experimental”) and in CDK [14], [15]
- Exploring the mechanism of PPCPs on human metabolic diseases based on . . .
The DAVID database was then utilized to perform GO and KEGG enrichment analysis on the core targets Finally, we used the PubChem database, AlphaFold 3, PyMOL, and AutoDock Vina to conduct molecular docking studies, which allowed us to explore the intermolecular interactions between PPCPs and core target proteins
- Glyphosate - an overview | ScienceDirect Topics
Glyphosate Glyphosate is a phosphorus containing amino acid which acts by inhibiting the shikimic acid biosynthesis pathway in plants, but not in mammals, and thus has been observed to have low mammalian toxicity
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