Our students visited Sixty-Four Free Chemistry Databases and reviewed various databases to choose which would be most useful for our chemistry and biochemistry majors.
"PubChem is organized as three linked databases within the NCBI's Entrez information retrieval system. These are PubChem Substance, PubChem Compound, and PubChem BioAssay. PubChem also provides a fast chemical structure similarity search tool. More information about using each component database may be found using the links in the homepage."
"... ZINC, a free database of commercially-available compounds for virtual screening. ZINC contains over 14 million purchasable compounds in ready-to-dock, 3D formats."
"The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information."
"ChemBank is a public, web-based informatics environment ...(which) includes freely available data derived from small molecules and small-molecule screens, and resources for studying the data so that biological and medical insights can be gained."
"The CCCBDB contains links to: Experimental and computational thermochemical data for a selected set of 1420 gas-phase atoms and molecules. Tools for comparing experimental and computational ideal-gas thermochemical properties."
"KEGG is a database resource for understanding high-level functions and utilities of the biological system, such as the cell, the organism and the ecosystem, from genomic and molecular-level information."
"Since 1921, Organic Syntheses has provided the chemistry community with detailed, reliable, and carefully checked procedures for the synthesis of organic compounds. ... Each procedure is written in considerably more detail as compared to typical experimental procedures in other journals, and each reaction and all characterization data has been carefully "checked" for reproducibility in the laboratory of a member of the Board of Editors."
"SDBS is an integrated spectral database system for organic compounds,which includes 6 different types of spectra under a directory of the compounds." [Agree to disclaimer at bottom of home page to access search screen.]
"BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of protein considered to be drug-targets with small, drug-like molecules. BindingDB contains 793,068 binding data, for 5,583 protein targets and 349,917 small molecules."
"This online edition is more than a Major Reference Work, as it combines the complete text of the Encyclopedia with the sophistication of a Database including all the chemical reactions and structures!"
"The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body."
"The Drug Listing Act of 1972 requires registered drug establishments to provide the Food and Drug Administration (FDA) with a current list of all drugs manufactured, prepared, propagated, compounded, or processed by it for commercial distribution. ... rug products are identified and reported using a unique, three-segment number, called the National Drug Code (NDC), which serves as a universal product identifier for human drugs."
"The overall purpose of the joint FDA/USP Substance Registration System (SRS) is to support health information technology initiatives by generating unique ingredient identifiers (UNIIs) for substances in drugs, biologics, foods, and devices"
"This database, which is maintained by the National Magnetic Resonance Facility at Madison, is a resource for metabolomics research based on nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). ... Each metabolite entry in the MMCD is supported by information in an average of 50 separate data fields..."
