Tag

chemical

Showing 1 - 20 out of 320 datasets
  • Toxic Chemical Releases by Industry: 2005

    Free Download — The Statistical Abstract files are distributed by the US Census Department as Microsoft Excel files. These files have data mixed with notes and references, multiple tables per sheet, and, worst of all, the table headers are not easily matched to their rows and columns. A few files had extraneous characters in the title. These were corrected to be consistent. A few files ...
  • 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) ...
  • 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 ...
  • 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>
  • 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 ...
  • 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 ...
  • Toxic Chemical Releases by State: 2005

    Free Download — The Statistical Abstract files are distributed by the US Census Department as Microsoft Excel files. These files have data mixed with notes and references, multiple tables per sheet, and, worst of all, the table headers are not easily matched to their rows and columns. A few files had extraneous characters in the title. These were corrected to be consistent. A few files ...
  • Toxic Chemical Releases and Transfers by Media: 2000 to 2006

    Free Download — The Statistical Abstract files are distributed by the US Census Department as Microsoft Excel files. These files have data mixed with notes and references, multiple tables per sheet, and, worst of all, the table headers are not easily matched to their rows and columns. A few files had extraneous characters in the title. These were corrected to be consistent. A few files ...
  • 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 ...
  • NMRShiftDB

    Offsite — Description > NMRShiftDB is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The NMRShiftDB software is ...
  • Blue Obelisk Data Repository (BODR)

    No Data — Description “Another core Blue Obelisk project is the development of a shared data repository. This repository lists many important chemoinformatics data such as elemental properties, atomic radii, etc. including references to original literature. Software developers can use this repository on online webpages or in chemistry software for free.” Repository There is ...
  • Chemical Structure Repository

    Offsite — Description From project website: > Chemical Structures [was] initiated in June 2006. It aims to provide a set of organic structures, which includes 3D coordinates, InChi code, molecular weight, melting point, etc. The last relase (v1.05) contains over 250 structures. License BSD license according to [SourceForge project ...