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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
  • Chem | Journal | ScienceDirect. com by Elsevier
    Chem, a sister journal to Cell, provides a home for seminal and insightful research and showcases how fundamental studies in chemistry and its sub-disciplines may help in finding potential solutions to the global challenges of tomorrow
  • Physicochemical properties and interactions of perfluoroalkyl . . .
    According to PubChem Classification, there are over 7 million species of PFAS chemicals found globally and is still growing (Schymanski et al , 2023) Amongst all PFAS, perfluoroocatanesulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) have had the longest production history and their toxicity have been well-documented ( Dean et al , 2020 )
  • Polyurethanes: Structure, Properties, Synthesis, Characterization, and . . .
    Polyurethanes (PUs) are a versatile class of polymers in both synthesis and applications The superior properties make them suitable for a wide range of applications





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