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 …
PubChem: Integrated Platform of Small Molecules and Biological ...
PubChem [1], an open repository for experimental data identifying the biological activities of small molecules, is a part of the Molecular Libraries and Imaging (MLI) component of the National …
PubChem BioAssay: A Decade’s Development toward Open High …
Jul 1, 2017 · The PubChem BioAssay database was set up initially to archive the small-molecule HTS data from the National Institute of Health’s (NIH) Molecular Libraries Program (MLP), which funded a …
PubChem Protein, Gene, Pathway, and Taxonomy Data ... - ScienceDirect
Jun 15, 2022 · PubChem provides a large corpus of chemical information, collected from hundreds of data sources (824 sources, as of November 23, 2021) (https://pubchem.ncbi.nlm.nih.gov/source/). …
Properties of FDA-approved small molecule protein kinase inhibitors: A ...
Jun 1, 2025 · Because of the deregulation of protein kinase action in many inflammatory diseases and cancer, the protein kinase family has become one of the most si…
Potentially active compounds that improve PAD through angiogenesis: …
Dec 1, 2023 · Peripheral arterial disease (PAD) has been historically neglected, which has resulted in a lack of effective drugs in clinical practice. However, with…
Getting the SMILES right: identifying inconsistent chemical identities ...
Apr 3, 2023 · In the PubChem terminology, a substance is a chemical sample description provided by a single source and a compound is a normalized chemical structure representation found in one or …
Scikit-fingerprints: Easy and efficient computation of molecular ...
Dec 1, 2024 · In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our lib…
Molecular fingerprint similarity search in virtual screening
Jan 1, 2015 · 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 …
Tetracyclines, the old and the new: A narrative review
Mar 1, 2025 · Tetracyclines have remained a cornerstone of antimicrobial therapy for over seven decades, demonstrating broad-spectrum activity against a wide range …