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Wang et al., 2017) is a public chemical information resource, developed and maintained by the national center for biotechnology. Pubchem provides a large corpus of chemical information, collected from hundreds of data sources (824 sources, as of november 23, 2021). The study aims to promote network toxicology strategy to efficiently investigate the putative toxicity and underlying molecular mechanisms of environm…
Pubchem is an open repository for experimental data identifying the biological activities of small molecules Currently, it contains more than 25 million unique chemical structu… Pubchem contents include more than
This fingerprint, with 881 structural keys covers a wide range of different substructures and features
It is the fingerprint used by pubchem for similarity. 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. Pubchem is a public repository of small molecules and their biological properties
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