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chemical database substances CAS Search; suppliers "Chemindex". Clival Database Clinical Trail Database Clinical Trail Data Solutions 50,000 molecules clinical trail data Phase 0 to IV indications "clival". CMNPD Comprehensive Marine Natural Products Database Peking University: from literature and other databases structural classification; species
PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be freely downloaded via FTP. PubChem contains multiple substance descriptions and small molecules with fewer than 100 atoms and 1,000 bonds. More than 80 database vendors contribute to the growing PubChem database. [2]
Organic Compounds Database Free compound search by structure; Chemical catalog Compounds, analytical data; Chmoogle The free chemistry search engine; PubChem Compound, substance, and bioactivity data; NCI Database Compound, substance, and bioactivity data, advanced search panel; NIST Chemistry WebBook Compound data and spectra
Large databases, such as PubChem [11] [20] and ChemSpider, [21] have graphical interfaces for search. The Chemical Abstracts Service provides tools to search the chemical literature and Reaxys supplied by Elsevier covers both chemicals and reaction information, including that originally held in the Beilstein database . [ 22 ]
This page was last edited on 27 November 2019, at 02:25 (UTC).; Text is available under the Creative Commons Attribution-ShareAlike 4.0 License; additional terms may apply.
The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists ) in pharmaceutical companies , biotechnology companies , and research universities .
PubChem BioAssay: bioactivity screens of chemical substances Probe : sequence-specific reagents NLM Catalog : NLM bibliographic data for over 1.2 million journals, books, audiovisuals, computer software, electronic resources, and other materials resident in LocatorPlus (updated every weekday).
As of 2024, substructure search is a standard feature in chemical databases accessible via the web. Large databases such as PubChem, [20] [15] maintained by the National Center for Biotechnology Information and ChemSpider, [21] maintained by the Royal Society of Chemistry have graphical interfaces for search.