Tag

chemistry

Showing 1 - 20 out of 31 datasets
  • Open Notebook Science Challenge Solubility Dataset

    Offsite — A collection of non-aqueous solubility measurements, mainly aldehydes, carboxylic acids and amines. The data are linked to the laboratory notebook pages where the measurements were obtained. This is part of the Open Notebook Science Solubility Challenge. Sponsored by Submeta, Nature and Sigma-Aldrich.
  • National Water Information System (NWIS)

    Offsite — NWIS supports the acquisition, processing, storage and dissemination of information about water quantity and quality collected at over 1.5 million sites around the U.S. As a long-term database and information delivery system, NWIS provides continual access to data collected over the last 100+ years, as well as real-time data on streamflow, etc. Additional facts available ...
  • European chemical Substances Information System (ESIS)

    Offsite — About ESIS (European chemical Substances Information System), is an IT System which provides you with information on chemicals, related to: EINECS (European Inventory of Existing Commercial chemical Substances) O.J. C 146A, 15.6.1990, ELINCS (European List of Notified Chemical Substances) in support of Directive 92/32/EEC, the 7th amendment to Directive ...
  • Distributed Structure-Searchable Toxicity (DSSTox) Public Database Network

    Offsite — About > Distributed Structure-Searchable Toxicity (DSSTox) Database Network is a project of EPA’s National Center for Computational Toxicology, helping to build a public data foundation for improved structure-activity and predictive toxicology capabilities. The DSSTox website provides a public forum for publishing downloadable, structure-searchable, standardized ...
  • Human Metabolome Database

    Offsite — About > The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education. The database is designed to contain or link three kinds of data: 1) ...
  • Eigenvector Research, Inc. : Data Sets Available to Download

    Offsite
  • Developmental Therapeutics Program NCI/NIH

    Offsite — About From [about page](http://dtp.nci.nih.gov/about.html): > As the drug discovery and development arm of the National Cancer Institute, the Developmental Therapeutics Program (DTP) plans, conducts, and facilitates development of therapeutic agents for cancer and AIDS. We are your resource for research materials, including Web-accessible data and tools, vialed and ...
  • DrugBank

    Offsite — About > 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. The database contains nearly 4800 drug entries including >1,480 FDA-approved small molecule drugs, 128 FDA-approved ...
  • RCSB Protein Data Bank

    Offsite — Description As of August 2008 over 52 thousand structures available for download. From home page: > The RCSB PDB provides a variety of tools and resources for studying the structures of biological macromolecules and their relationships to sequence, function, and disease. > > The RCSB is a member of the wwPDB whose mission is to ensure that the PDB archive remains ...
  • BioCyc

    Offsite — Description Biocyc curate and maintain several databases: > BioCyc is a collection of 371 Pathway/Genome Databases. Each Pathway/Genome Database in the BioCyc collection describes the genome and metabolic pathways of a single organism, with the exception of the MetaCyc database, which is a reference source on metabolic pathways from many organisms. These include ...
  • Chemical Block

    Offsite — About ChemBlock makes available two databases: 1. Building Blocks fields: ID number, Structure, Chemical Name, Salt data 4925 compounds 2. Screening Library fields: ID number, Structure, Salt data 122051 compounds Openness Terms of re-distribution/re-use are not mentioned on the site.
  • PubChem: Information on Biological Activities of Small Molecules

    Offsite — “PubChem provides information on the biological activities of small molecules.” For license information, see: <http://www.ncbi.nlm.nih.gov/About/disclaimer.html>
  • Crystal Eye: Aggregated Crystallographic Data

    Offsite — Description The aim of the CrystalEye project is to aggregate crystallography from web resources, and to provide methods to easily browse, search, and to keep up to date with the latest published information. Openness: OPEN License: not specified (but have open data logo and authors clear intention is for data to be open). Access: ok. bulk: no. www: yes. ...
  • ChemBank

    Offsite — About > ChemBank is a public, web-based informatics environment created by the Broad Institute’s Chemical Biology Program and funded in large part by the National Cancer Institute’s Initiative for Chemical Genetics (ICG). This knowledge environment includes freely available data derived from small molecules and small-molecule screens, and resources for studying the ...
  • eCrystals Southampton

    Offsite — Description-———— eCrystals – Southampton is the archive for Crystal Structures generated by the Southampton Chemical Crystallography Group and the EPSRC UK National Crystallography Service. The information contained within each entry of this archive is all the fundamental and derived data resulting from a single crystal X-ray structure determination, but excluding the ...
  • ARONIS

    Offsite — Description The ARONIS database “includes over 200000 organic compounds”. Openness No information is provided about re-using the data provided on the site.
  • Enamine

    Offsite — About From website: > Since our inception in 1991 we have expanded our compound collection by adding compounds from uncommon chemical classes which feature drug-like physico-chemical properties. Our libraries have been attractive to pharma, biotech and agrochemical companies around the world and now our in house stock exceeds 1 million unique compounds. include: ...
  • Chemical Entities of Biological Interest (ChEBI)

    Offsite — Description > Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds. The term ‘molecular entity’ refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable ...
  • Binding DB - The Binding Database

    Offsite — About > 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. Openness Not open as restricts commercial re-use: > The database you are about to use is protected under copyright and/or patent law. While you are free to use the data ...
  • ChemIDplus

    Offsite — About > This database allows users to search the NLM ChemIDplus database of over 370,000 chemicals. A user may enter compound identifiers such as Chemical Name, CAS Registry Number, Molecular Formula, Classification Code, Locator Code, and Structure or Substructure. New searchable features include search and display by Toxicity indicators such as Median Lethal Dose ...