cactus.nci.nih.gov

NCI/CADD Group Chemoinformatics Tools and User Services

The NCI/CADD group is a research unit within the Chemical Biology Laboratory. At the National Cancer Institute. The CADD Group's Chemoinformatics Tools and User Services. Or, visit our blog. To search and display chemical structures here, you will need Java/JavaScript to be enabled on your browser. With your experiences and suggestions. This service works as a resolver for different chemical structure identifiers and allows the conversion of a given structure identifier into another representation or str...

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NCI/CADD Group Chemoinformatics Tools and User Services | cactus.nci.nih.gov Reviews

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The NCI/CADD group is a research unit within the Chemical Biology Laboratory. At the National Cancer Institute. The CADD Group's Chemoinformatics Tools and User Services. Or, visit our blog. To search and display chemical structures here, you will need Java/JavaScript to be enabled on your browser. With your experiences and suggestions. This service works as a resolver for different chemical structure identifiers and allows the conversion of a given structure identifier into another representation or str...

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6 NCI/CADD Structure Identifier

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NCI/CADD Group Chemoinformatics Tools and User Services | cactus.nci.nih.gov Reviews

https://cactus.nci.nih.gov

The NCI/CADD group is a research unit within the Chemical Biology Laboratory. At the National Cancer Institute. The CADD Group's Chemoinformatics Tools and User Services. Or, visit our blog. To search and display chemical structures here, you will need Java/JavaScript to be enabled on your browser. With your experiences and suggestions. This service works as a resolver for different chemical structure identifiers and allows the conversion of a given structure identifier into another representation or str...

INTERNAL PAGES

cactus.nci.nih.gov

1

NCI/CADD Group Chemoinformatics Tools and User Services

https://cactus.nci.nih.gov/ncicadd/disclaimer.html

Skip to Main Content. Apart from the legal aspects,. WE REALLY MEAN THIS. Many structural data presented on this website are derived from information freely available to the public. For the NCI open database structures, see the website of the Developmental Therapeutics Program (DTP), DCTD, NCI, NIH. In particular the 2D and 3D Structural Information from DTP.

2

VRML File Creator for Chemical Structures

https://cactus.nci.nih.gov/vrmlcreator

Skip to Main Content. VRML File Creator for Chemical Structures. To use this tool, you will need to install a VRML plugin. A list of plugins for various operating systems and browsers is available from NIST. VRML File Creator for Chemical Structures. And save WRL file on disk:. And save WRL file on disk:. Bug reports, comments or questions?

3

NCI/CADD Group Chemoinformatics Tools and User Services

https://cactus.nci.nih.gov/index.html

Skip to Main Content. The NCI/CADD group is a research unit within the Chemical Biology Laboratory. At the National Cancer Institute. The CADD Group's Chemoinformatics Tools and User Services. Or, visit our blog. To search and display chemical structures here, you will need Java/JavaScript to be enabled on your browser. With your experiences and suggestions. This service works as a resolver for different chemical structure identifiers and allows the conversion of a given structure identifier into another...

4

FDA SPL Derived SD File Download Page

https://cactus.nci.nih.gov/download/fda

Skip to Main Content. FDA Substance Index SPL Files Converted to SD Format. Release 3 File Series - February 2015. Over 46,000 Substance Index SPL Files Released by FDA through February 2015. An SD file created from 46,611 SPL file released by FDA through February 2015 at http:/ www.fda.gov/ForIndustry/DataStandards/StructuredProductLabeling/ucm377913.htm. 61,178 structures in SDF format. This is a 40 MB gzipped file that uncompresses to about 323 MB. Release 2 File Series - September 2014. Names present...

5

/chemical/structure Blog | About new web services at https://cactus.nci.nih.gov

https://cactus.nci.nih.gov/blog

About new web services at https:/ cactus.nci.nih.gov. KNIME node for CIR by Talete. January 14, 2013. Sorry, for being so quiet recently – but the preparation of new services at cactus kept us busy (we will write more about it soon). Andrea Mauri of Talete. Pointed me to the KNIME. Node they have implemented and which is available for download at their web site. We are back after Sandy. October 31, 2012. We shut down now. October 29, 2012. See you soon 🙂. October 29, 2012. Sorry for the inconvience,.

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chemminedb.ucr.edu

ChemMine - Links

http://chemminedb.ucr.edu/intro/links

Howdy, our guest Log In. Links to Related Resources. Comparative Toxicogenomics Database (CTD). Chemical Industry Supplier Registry. List of 32 Free Chemistry Databases. Madison Metabolomics Consortium Database (MMCD). ZINC: Virtual Screening Database (UCSF). CMP Drawing Program, exports to SVG). PerlMol - Perl Modules for Molecular Chemistry. Open Eye Scientific Software. IUPAC- International Chemical Identifier (INChi). TORVS (Univ. Erlangen). Corina: 3D structure prediction of compounds.

xemistry.net

Xemistry GmbH - Products

https://www.xemistry.net/products.htm

Access to Customer Support Directories. Sites powered by the Cactvs Toolkit. Processed PubChem Assay Downloads. Web Structure Depiction Server. Portable 3D structure Web visualization as embedded PDF. Java- and Plugin-free interactive Web Structure Sketcher. Chemical structure algorithm consistency verification service. An unique collection of multi-platform chemical information processing tools. The addition of custom features to these tools as a development project is always a possibility. That does no...

xemistry.net

Xemistry GmbH - Home

https://www.xemistry.net/index.htm

Access to Customer Support Directories. Sites powered by the Cactvs Toolkit. Processed PubChem Assay Downloads. Web Structure Depiction Server. Portable 3D structure Web visualization as embedded PDF. Java- and Plugin-free interactive Web Structure Sketcher. Chemical structure algorithm consistency verification service. We are the official distributor and maintainer of the CACTVS Chemoinformatics Toolkit and a broad range of applications built on top of it. Of general scripting language documentation.

xemistry.net

Xemistry GmbH - Presentations

https://www.xemistry.net/help.htm

Access to Customer Support Directories. Sites powered by the Cactvs Toolkit. Processed PubChem Assay Downloads. Web Structure Depiction Server. Portable 3D structure Web visualization as embedded PDF. Java- and Plugin-free interactive Web Structure Sketcher. Chemical structure algorithm consistency verification service. The official and complete Cactvs Toolkit Tcl Scripting documentation (last updated 2014-7-16, 759 pages) is available as a free PDF file for download. 3440 versions of the Cactvs toolkit.

xemistry.net

Xemistry GmbH - Presentations

https://www.xemistry.net/presentations.htm

Access to Customer Support Directories. Sites powered by the Cactvs Toolkit. Processed PubChem Assay Downloads. Web Structure Depiction Server. Portable 3D structure Web visualization as embedded PDF. Java- and Plugin-free interactive Web Structure Sketcher. Chemical structure algorithm consistency verification service. Below are some slides from recent talks and presentations. A poster panel describing a study on the state of algorithmic robustness and consistency in chemoinformatics software. PDF.

chemicalize.org

Document Viewer - chemicalize.org

http://www.chemicalize.org/document

Fast, semi-automatic creation of Markush libraries and intuitive browsing of chemistry in documents. Try it now! Many features on this website were built using Document to Structure's text mining capabilities. Learn more! Do you know how chemicalize.org converts chemical names into structures? Meet ChemAxon's Name to Structure! Create, explore and share chemical and non-chemical data in local and remote databases, on your desktop. Try it now! Subscribe to our newsletter.

chemicalize.org

http://www.chemicalize.org/structure

Many features on this website were built using Document to Structure's text mining capabilities. Learn more! Fast, semi-automatic creation of Markush libraries and intuitive browsing of chemistry in documents. Try it now! Do you know how chemicalize.org converts chemical names into structures? Meet ChemAxon's Name to Structure! Create, explore and share chemical and non-chemical data in local and remote databases, on your desktop. Try it now! Formula: chemical formula of the molecule. The partition coeff...

xemistry.net

Xemistry GmbH - Careers

https://www.xemistry.net/careers.htm

Access to Customer Support Directories. Sites powered by the Cactvs Toolkit. Processed PubChem Assay Downloads. Web Structure Depiction Server. Portable 3D structure Web visualization as embedded PDF. Java- and Plugin-free interactive Web Structure Sketcher. Chemical structure algorithm consistency verification service. At this time, we do not have any unfilled permanent positions. From time to time, there may be opportunities for contract work, and you are welcome to inquire about these. Opportunies for...

baldurweb.com

www.openmolecules.org

http://www.baldurweb.com/name2structure.html

Free services all around molecules. This page lets you easily convert compound names, IUPAC names, SMILES codes and CAS numbers into chemical structures. On the back end it employs the OPSIN. Java library from the University of Cambridge, the CACTUS. Online service provided by the National Cancer Institute and openmolecules software. 3D structure images are random low energy conformers rendered on-the-fly using the ray tracing engine SunFlow (see example below). Substance name, CAS-No, Smiles:.

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Je m'abonne à la newsletter. Cactaceae) forment une famille de plantes à fleurs. Ce sont presque toutes des plantes grasses ou plantes succulentes, c’est-à-dire des plantes xérophytes qui stockent dans leurs tissus des réserves de suc pour faire face aux longues périodes de sécheresse. Mais Cactus, c’est aussi une agence de publicité. Faire la balance entre de l’audace créative et le réalisme économique, pour traduire vos actions de communication en résultats concrets. Agence de publicité & Marketin...

cactus.nci.nih.gov

NCI/CADD Group Chemoinformatics Tools and User Services

The NCI/CADD group is a research unit within the Chemical Biology Laboratory. At the National Cancer Institute. The CADD Group's Chemoinformatics Tools and User Services. Or, visit our blog. To search and display chemical structures here, you will need Java/JavaScript to be enabled on your browser. With your experiences and suggestions. This service works as a resolver for different chemical structure identifiers and allows the conversion of a given structure identifier into another representation or str...

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