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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 2006-03-28, ≈34🔥, 0💬

SD-format
Short but clear explanation of SDF format. 2006-03-28, ≈33🔥, 0💬

Sequin
Sequin is a stand-alone software tool developed by the NCBI for submitting and updating entries to the GenBank, EMBL, or DDBJ sequence databases. It is capable of handling simple submissions that contain a single short mRNA sequence, and complex submissio 2007-01-27, ≈28🔥, 0💬

Chemical file format - Wikipedia, the free encyclopedia
List of commonly used chemical MIME file formats including SDF. 2006-03-28, ≈19🔥, 0💬

Aquasol Database of Aqueous Solubility
The sixth edition of the AQUASOL dATAbASE of Aqueous Solubility contains almost twenty thousand solubility records for almost six thousand compounds. These data were extracted from over eighteen hundred scientific references. They include solubility data 2006-03-24, ≈17🔥, 0💬

Ligand.Info: Molecule Database - download SDF
Ligand.Info is a compilation of various publicly available databases of small molecules such as ChemBank, ChemPDB, KEGG, NCI, AKos GmbH, Asinex Ltd, and TimTec. The total size of the Meta-Database is 1 million entries. The compound records contain calcula 2006-03-24, ≈17🔥, 0💬

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. 2006-03-28, ≈16🔥, 0💬

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 2006-03-28, ≈16🔥, 0💬

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, 2006-03-28, ≈15🔥, 0💬

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) 2006-03-28, ≈15🔥, 0💬

science-softcon uv/vis spectra data base
The science-softCon "UV/Vis Spectra Data Base" on-line service was established in August 2000 and is subdivided into a Literature Service (this site) and a Spectra Service (see spectra-info). Both database services are operated in accordance to the "Open 2006-03-24, ≈15🔥, 0💬

Online SMILES Translator
Online SMILES Translator and Structure File Generator 2006-03-15, ≈15🔥, 0💬

EPA: Substance Registry System
The Substance Registry System (SRS) provides information on substances and how they are represented in the Environmental Protection Agency (EPA) regulations and information systems. Using the search below, you can query for substances by common identifier 2006-03-24, ≈15🔥, 0💬

ChemFinder.Com
Chemical database. Can search by Chemical Name, CAS Number, Molecular Formula or Weight. Can add a Compound. Individual access to ChemFinder is complimentary on a limited basis. 2006-03-24, ≈14🔥, 0💬

Hazardous Substances Data Bank (HSDB) Fact Sheet
HSDB? (Hazardous Substances Data Bank) is a comprehensive, scientifically reviewed, factual database containing records for over 4,900 toxic or potentially toxic chemicals. It contains extensive information in such areas as toxicity, environmental fate, 2006-03-24, ≈14🔥, 0💬

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 2006-03-28, ≈14🔥, 0💬

GENE-TOX Fact Sheet
GENE-TOX is a data bank created by the Environmental Protection Agency (EPA) with genetic toxicology test results on over 3,000 chemicals. In the field of genetic toxicology, selected mutagenicity assay systems and the source literature are reviewed by wo 2006-03-24, ≈14🔥, 0💬

DDBJ Homepage
DNA sequence records the organismic evolution more directly than other biological materials and ,thus, is invaluable not only for research in life sciences, but also human welfare in general. The databases are, so to speak, a common treasure of human bei 2006-03-24, ≈14🔥, 0💬

Simplified molecular input line entry specification - Wikipedia,
A short description of SMILES and some related links provided by free encyclopedia Wikipedia. 2006-03-15, ≈14🔥, 0💬

Crystallography Open Database
Crystallography Open Database - Updated March 6, 2006 : ~34.000 entries in the COD. All data on this site have been placed in the public domain by the contributors 2006-03-24, ≈14🔥, 0💬

EPA/NHEERL: Distributed Structure-Searchable Toxicity (DSSTox):
An information page on SMILES with some resource links. 2006-03-15, ≈13🔥, 0💬

ChemFinder.Com: The Merck Index
The Merck Index, chemistry's constant companion, is an encyclopedia of chemicals, drugs and biologicals with over 10,000 monographs on single substances or groups of related compounds. 2006-03-24, ≈13🔥, 0💬

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 2006-03-28, ≈13🔥, 0💬

The PubChem Project
PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative. 2006-03-24, ≈13🔥, 0💬

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