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As of 2020, with data integration from over 100 new sources, PubChem contains more than 293 million depositor-provided substance descriptions, 111 million unique chemical structures, and 271 million bioactivity data points from 1.2 million biological assays experiments. [5]
biochemical data, clinical data HMDB "HMDB". 114,222 [6] HugeMDB Huge Molecular Database Elegant Mathematics LLC: Small molecules (most of entries have <100 atoms) major conformers with its 3D and easy search on them M good correlated with PubChem on data that is available on PubChem "HugeMDB". 102 million ICSC ILO International Chemical Safety ...
Data entry is also simplified through the use of chemical structure editors. These editors internally convert the graphical data into computational representations. There are also numerous algorithms for the interconversion of various formats of representation. An open-source utility for conversion is OpenBabel. These search and conversion ...
The US National Institute of Health PubChem database is a huge source of chemical data. All of the data is in two-dimensions. Data includes SDF, SMILES, PubChem XML, and PubChem ASN1 formats. The worldwide Protein Data Bank [12] is an excellent source of protein and nucleic acid molecular coordinate data. The data is three-dimensional and ...
Journal articles, books, and primary sources in 75 disciplines (1870–present) Free & Subscription JSTOR: OpenEdition.org: Humanities, social science: 60,000 Offers four international-scale publication and information platforms in the humanities and social sciences (10,661 books, 549 journals, 3793 blogs, 45,591 events). Free
Hydroxymethylfurfural (HMF), also known as 5-(hydroxymethyl)furfural, is an organic compound formed by the dehydration of reducing sugars. [4] [5] It is a white low-melting solid (although commercial samples are often yellow) which is highly soluble in both water and organic solvents.
The ChemSpider database can be updated with user contributions including chemical structure deposition, spectra deposition and user curation. This is a crowdsourcing approach to develop an online chemistry database.
PubChem a database of small molecules from the chemical and biological literature, hosted by NCBI ChEMBL , a database of information about medicinal chemistry and biological activities of small molecules.