opensmarts.org
MolDB: Cheminformatics tools
http://www.opensmarts.org/smiley.html
Smiley A SMILES/SMARTS parser. Single C 03 header file. Custom functors to handle events. Cross-platform (Linux, Mac OSX, Windows). Smiley reports both syntax and semantics errors by throwing exceptions containing a description of the error, a unique error code, the position and the length of the error in the SMILES/SMARTS string. The smiley source code is hosted on github. The documentation can be found here. Bugs can be reported using the github issue tracker.
journals.iucr.org
(IUCr) Crystallography Open Database – an open-access collection of crystal structures
http://journals.iucr.org/j/issues/2009/04/00/kk5039/index.html
Journal of Applied Crystallography. Download PDF of article. Download PDF of article. Def hfill{ hskip 5em} def hfil{ hskip 3em} def eqno#1{ hfil {#1} ). Crystallography Open Database – an open-access collection of crystal structures. Robert T. Downs. A F T Yokochi. And Armel Le Bail. Institute of Biotechnology, Graiciuno 8, LT-02241 Vilnius, Lithuania,. CRISMAT-ENSICAEN, Université de Caen Basse-Normandie, Bd. M. Juin, 14050 Caen, France,. Correspondence e-mail: grazulis@ibt.lt. Received 24 October 2008;.
syuhadasamsudin.blogspot.com
~mAtI sYahId CiTa-CiTaKu~: sMilEs=)
http://syuhadasamsudin.blogspot.com/2010/10/smiles.html
Tuesday, October 12, 2010. When people heard about smiles, they must refer to someone who are smiles to others. however, smiles that i want to share with you is something different from that. Do you know that Smiles is refer to simplified molecular input line entry specification. The simplified molecular input line entry specification. Is a specification for unambiguously describing the structure of chemical. SMILES strings can be imported by most molecule editors. For conversion back into two-dimensional.
chemicalrcp.blogspot.com
A Chemical RCP Adventure: April 2009
http://chemicalrcp.blogspot.com/2009_04_01_archive.html
A Chemical RCP Adventure. Wednesday, April 15, 2009. Bioclipse2 Scripting #3: XLogP calculatation using a XMPP CDK cloud service. In preparation of the CDK workshop. Next week, here is a small Bioclipse2. Script to calculate the XLogP value for a given SMILES. Using the a CDK-based XMPP service. Earlier in this series:. Bioclipse2 Scripting #1: from SMILES to a UFF optimized structure in Jmol. Bioclipse2 Scripting #2: searching PubChem. Links to this post. Multiple inheritence for content types? Bioclips...
opencheminformatics.org
OpenSMILES specification
http://www.opencheminformatics.org/opensmiles.html
Craig A. James. Version 1.0,. Content is available under GNU Free Documentation License 1.2. Contributors: Richard Apodaca, Noel O’Boyle, Andrew Dalke, John van Drie, Peter Ertl, Geoff Hutchison, Craig A. James, Greg Landrum, Chris Morley, Egon Willighagen, Hans De Winter, Tim Vandermeersch. Antoine Lavoiser, 1787. This document formally defines an open specification. Version of the SMILES. Language, a typographical line notation. Has long been the "gold standard" for the SMILES language, but as a propri...
moldb.net
MolDB: Cheminformatics tools
http://www.moldb.net/smiley.html
Smiley A SMILES/SMARTS parser. Single C 03 header file. Custom functors to handle events. Cross-platform (Linux, Mac OSX, Windows). Smiley reports both syntax and semantics errors by throwing exceptions containing a description of the error, a unique error code, the position and the length of the error in the SMILES/SMARTS string. The smiley source code is hosted on github. The documentation can be found here. Bugs can be reported using the github issue tracker.
en.wikipedia.org
Simplified molecular-input line-entry system - Wikipedia, the free encyclopedia
https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system
Simplified molecular-input line-entry system. From Wikipedia, the free encyclopedia. SMILES" redirects here. For other uses, see Smiles (disambiguation). Generation of SMILES: Break cycles, then write as branches off a main backbone. (Ciprofloxacin). The simplified molecular-input line-entry system. Is a specification in form of a line notation. For describing the structure of chemical species. SMILES strings can be imported by most molecule editors. For conversion back into two-dimensional. Called "Open...
