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More on Structure Data Format (SDF)
Quick introduction with topic areas below: Details of SDF and other MDL file formats; Sample SDF file; DSSTox SDF files; Encouraging "clean SDF" standards for CRDs; Public SDF Tools
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SD-format
Short but clear explanation of SDF format.
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Chemical file format - Wikipedia, the free encyclopedia
List of commonly used chemical MIME file formats including SDF.
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CTfiles (chemical table files) Description in PDF - Including SD
Free download of PDF for MDL's published file formats for chemical structures, reactions, and data are widely used in the chemical software industry. In order to encourage the free exchange of chemical structures and related information, MDL has published
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MN.CONVERT: Conversion of chemical file formats (SDF, MOL, MOL2,
CONVERT recognizes about 40 formats either by analyzing of the file's content or by using the file's extension (e.g. .mol, .smi, .sdf...), or the input format can also be specified.
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ChemFileBrowser - A win32 free sotfware for chemistry
ChemFileBrowser is a win32 free sotfware for chemistry designed to visualize and works with SDFile (MDL® format) to exchange and analyse information associated with chemical structure. It includes descriptors calculation like TPSA, molecular weight, HBd,
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The SDF Toolkit in Perl 5
SDF or Structures Data File is a common file format developed by Molecular Design Limited to handle a list of molecular structures with associated properties. The file format has been published (Dalby et al., J. Chem. Inf. Comput. Sci. 1992, 32, 244-255)
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Chemtool development page
Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11. Chemtool was originally written by Thomas Volk, then a student of chemistry and biology at the university of Ulm, Germany. SDF is suppor
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Main Page - Open Babel
Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling, computational chemistry, and many related areas. Features includes: A
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Chemical catalog - research and laboratory chemicals, biochemica
Welcome to our on-line compounds catalogue. Search for research chemicals and laboratory chemicals in our continually updated catalog of over 2,000 available biochemicals, laboratory and research chemicals. It offeres text Search and E-Catalog in database
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Simplified molecular input line entry specification - Wikipedia,
A short description of SMILES and some related links provided by free encyclopedia Wikipedia.
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Daylight Theory: SMILES - A Simplified Chemical Language
A good introduction of SMILES provided by Daylight Chemical Information Systems.
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SMILES Tutorial
A full SMILES language tutorial by Daylight Chemical Information Systems.
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SMILES tokens
A good introduction of SMILES tokens provided by Dalke Scientific Software
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EPA/NHEERL: Distributed Structure-Searchable Toxicity (DSSTox):
An information page on SMILES with some resource links.
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Depict - Interactive depiction of SMILES
An interactive page allows users to enter SMILES codes to see the molecule structure as a picture.
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U.S. EPA : Mid-Continent Ecology Division
A good tutorials with: Rule One: Atoms and Bonds; Rule Two: Simple
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GIF/PNG-Creator for 2D Plots of Chemical Structures
A interactive page allows users to specify a molecule structure to see it as a GIF picture.
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Chemical MIME Home page
SMLES has been included as chemical/x-daylight-smiles in this chemical MIME collection page.
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Sparc On-Line Calculator
Nice interactive page, using SMILES for calculating chemical properties.
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SMILES Home Page
The home page of SMILES provided by Daylight Chemical Information Systems with pointers to SMILES resources.
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JME Molecular Editor Applet
A Java applet which allows you to draw / edit molecules and reactions and to depict molecules directly within an HTML page. Editor can generate Dayligh SMILES or MDL mol file of created structures.
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Online SMILES Translator
Online SMILES Translator and Structure File Generator
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Description of SMILES
A short description of SMILES
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