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The PubChem Project

The PubChem Project
BioActivity Summary BioActivity Datatable BioActivity SAR BioActivity DataDicer Structure Search 3D Conformer Tools

http://pubchem.ncbi.nlm.nih.gov/

Related:  practical chem.

ChemBioOffice two week evaluation A Flash compatible player was not detected on your system, otherwise you would see videos here. If you can play an mp4, download the video as mp4 here ChemBioOffice is a scientifically intelligent, integrated suite of personal productivity tools that enables scientists and researchers to capture, store, retrieve and share data and information on compounds, reactions, materials and their properties. PowerMV Molecular Viewer PowerMV: A software environment for statistical analysis, molecular viewing, descriptor generation, and similarity search. Jack Liu, Jun Feng, Atina Brooks and Stan Young National Institute of Statistical Sciences Basic Functions: • Supports MDL SDF format • Displays molecules in multiple columns. • Displays properties contained in SD file in a table. • Anti-alias technology for best picture quality. • Table of molecule pictures and properties can be exported to Excel (Office XP and above) to generate personalized reports. • Calculates three types of binary atom pair descriptors and continuous weighed burden numbers.

CAS registry number CAS Registry Numbers,[1] also referred to as CASRNs and CAS Numbers, are unique numerical identifiers assigned by the Chemical Abstracts Service to every chemical substance described in the open scientific literature (currently including those described from at least 1957 through the present), including organic and inorganic compounds, minerals, isotopes, alloys and nonstructurable materials (UVCBs, of unknown, variable composition, or biological origin).[2] The Registry maintained by CAS is an authoritative collection of disclosed chemical substance information. Currently the CAS Registry identifies more than 81 million organic and inorganic substances and 64 million protein and DNA sequences,[3] plus additional information about each substance. The Registry is updated with an approximate 15,000 additional new substances daily.[4] Use[edit] Historically, chemicals have been identified by a wide variety of synonyms.

Chemistry Freeware On this page I post reviews and links to freeware chemistry programs available for download at other sites around the internet. All of the programs are ones that I have used, or currently use. None-the-less, I take no responsiblity for any problems you might experience as a result of installing any of these applications. Unless otherwise noted, the programs are for Windows systems. PubChem Download Page This file contains the structures downloaded from the PubChem FTP site that have at least one assay result associated with them that was obtained in the context of the NIH Common Fund (previously: NIH Roadmap) Molecular Libraries Probe Production Centers Network (previously: Molecular Libraries Screening Center Network), part of the Common Fund’s Molecular Libraries and Imaging program . It is organized by unique chemical structures (“Compounds” in PubChem parlance), i.e. assay results for possibly multiple different samples (“Substances” in PubChem parlance) have been combined into the one record representing the unique chemical structure. Placeholder assays (assays containing a single record only) have been filtered out. Explanation of the property data fields in the SD file (note - properties present in the original PubChem files have been copied unchanged, for the explanation of those properties we point directly to the appropriate PubChem document ):

Endocrine Disruptor Screening Program In the 1990's, some scientists proposed that certain chemicals might be disrupting the endocrine systems of humans and wildlife. A variety of chemicals have been found to disrupt the endocrine systems of animals in laboratory studies, and compelling evidence shows that endocrine systems of certain fish and wildlife have been affected by chemical contaminants, resulting in developmental and reproductive problems. Based on this and other evidence, Congress passed the Food Quality Protection Act and the Safe Drinking Water Act (SDWA) Amendments in 1996 requiring that EPA screen pesticide chemicals for their potential to produce effects similar to those produced by the female hormones (estrogen) in humans and giving EPA the authority to screen certain other chemicals and to include other endocrine effects. Based on recommendations from an Advisory Committee, EPA has expanded the EDSP to include male hormones (androgens) and the thyroid system, and to include effects on fish and wildlife.

Polycarbonate Polycarbonates (PC) are a group of thermoplastic polymers containing carbonate groups in their chemical structures. Polycarbonates used in engineering are strong, tough materials, and some grades are optically transparent. They are easily worked, molded, and thermoformed. Chemistry Labs Atomic Structure Series - Classifying Matter - Great Helpers View Now... Application of the Scientific Method - Apply Each Step - Form Experiments Chemical Library Enumeration Chemical Library Enumeration (This workflow can be found on the KNIME Workflow Public Server under 050_Applications/050001_ChemicalLibraryEnumeration Note that this workflow requires the installation of various nodes from the community update site!) The Workflow The workflow demonstrates how a chemist could create a virtual library of Amides based on a set of Acids and Amines.For the enumerated products, some molecular properties are then calculated and the products are filtered based on the Lipinski "rule of 5". In order to demonstrate the interoperability of the different community contributions, the workflow uses nodes from the RDKit, CDK, and Indigo integration.

Endocrine Disruptor Screening Program In the 1990's, some scientists proposed that certain chemicals might be disrupting the endocrine systems of humans and wildlife. A variety of chemicals have been found to disrupt the endocrine systems of animals in laboratory studies, and compelling evidence shows that endocrine systems of certain fish and wildlife have been affected by chemical contaminants, resulting in developmental and reproductive problems. Based on this and other evidence, Congress passed the Food Quality Protection Act and the Safe Drinking Water Act (SDWA) Amendments in 1996 requiring that EPA screen pesticide chemicals for their potential to produce effects similar to those produced by the female hormones (estrogen) in humans and giving EPA the authority to screen certain other chemicals and to include other endocrine effects.

Related:  base de substancerecherches WebBU