PubChem - sporedata/researchdesigneR GitHub Wiki

General description

PubChem is an open chemistry database at the NIH and the world's most extensive collection of freely accessible chemical information. Since its launch in 2004, PubChem has become an essential chemical information resource for data scientists, researchers, and other professionals.

PubChem mainly contains small and larger molecules such as carbohydrates, lipids, nucleotides, peptides, and chemically modified macromolecules. PubChem is an archive for chemical substances and biological assay experiments.

Related publications

• ShinyTPs: Curating Transformation Products from Text Mining Results
• Database resources of the National Center for Biotechnology Information
• Database resources of the national center for biotechnology information
• Per- and Polyfluoroalkyl Substances (PFAS) in PubChem: 7 Million and Growing
• Enhancing the interoperability of glycan data flow between ChEBI, PubChem and GlyGen
• CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community
• Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures
• Plant Reactome and PubChem: The Plant Pathway and (Bio)Chemical Entity Knowledgebases
• The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
• Bridging glycoinformatics and cheminformatics: integration efforts between GlyCosmos and PubChem
• Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches
• Studying the Parkinson's disease metabolome and exposome in biological samples through different analytical and cheminformatics approaches: a pilot study
• Cataloging natural sialic acids and other nonulosonic acids (NulOs), and their representation using the Symbol Nomenclature for Glycans
• Database resources of the National Center for Biotechnology Information in 2023
• PubChem Protein, Gene, Pathway, and Taxonomy Data Collections: Bridging Biology and Chemistry through Target-Centric Views of PubChem Data

Data access

More information about PubChem can be found at https://pubchem.ncbi.nlm.nih.gov/