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Simplified molecular-input line-entry specification
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51	rcdk: Integrating the CDK with R Rajarshi Guha Miguel Rojas Cherto August 30, 2014 Contents Add to Reading List Source URL: cran.r-project.org Language: English - Date: 2014-08-31 02:05:45 Computational chemistry Chemical nomenclature Encodings Simplified molecular-input line-entry specification Molecular descriptor Molecule Chemical bond Molecular geometry Chemical file format Science Cheminformatics Chemistry
52	DSSTox & Chemical Information Technologies in Support of Toxicity Prediction research Ann Richard1, Maritja Wolf2, Matthew Martin1, David Reif1, Richard Judson1 1U.S Add to Reading List Source URL: www.epa.gov Language: English - Date: 2012-05-07 10:13:42 Computational chemistry ChemSpider Simplified molecular-input line-entry specification Science Chemistry Cheminformatics
53	QSARs for Endocrine Disruption Priority Setting Database 2: The Integrated 4-Phase Model QSARs for Endocrine Disruption Priority Setting Database 2: The Integrated 4-Phase Model John D. Walkera , Hong Fangb, Roger Perk Add to Reading List Source URL: www.fda.gov Language: English* Encodings Simplified molecular-input line-entry specification Benzoates Cholesteryl benzoate Trimellitic anhydride chloride Chemistry Chemical nomenclature Cheminformatics
54	CHEMML ConTEXt XML Pragma ADE / Hasselt NL ConTEXt XML Add to Reading List Source URL: www.pragma-ade.com Language: English - Date: 2010-05-06 11:53:27 Acid-base chemistry Acids Notation Chemical bond Acid Hydrogen Molecule Carboxylic acid Simplified molecular-input line-entry specification Chemistry Chemical nomenclature Chemical formulas
55	DATASHEET Accelrys Draw Accelrys Draw enables scientists to draw and edit complex molecules and chemical reactions with ease, facilitating the collaborative searching, viewing, communicating and archiving of scientific Add to Reading List Source URL: accelrys.com Language: English - Date: 2011-08-19 14:54:42 Chemical nomenclature Encodings ISIS/Draw Health informatics Identifiers International Chemical Identifier Accelrys Simplified molecular-input line-entry specification Polymer Science Chemistry Cheminformatics
56	Microsoft Word - TechNote_PrimerChemSketch_20070221_SP.doc Add to Reading List Source URL: www.acdlabs.com Language: English - Date: 2011-02-01 17:42:19 Chemical nomenclature Encodings Chemical databases Advanced Chemistry Development International Chemical Identifier Chemical table file Simplified molecular-input line-entry specification Cycloalkane Double-click Science Chemistry Cheminformatics
57	Efficient SIMULTANEOUS matching of multiple SMARTs using the chemaxon toolkits Roger Sayle Nextmove software ltd Cambridge uk Add to Reading List Source URL: www.chemaxon.com Language: English - Date: 2011-09-29 16:43:15 Chemical database Simplified molecular-input line-entry specification Subgraph isomorphism problem OpenBabel Isotope Pattern matching ChemAxon Fingerprint Chemical substance Chemistry Cheminformatics Science
58	Multilingual Name to Structure From Desktop Applications Through Enterprise Solutions Krisztian Niesz, PhD Head of Application Science EPO, East Meets West – Vienna, April 2014 Add to Reading List Source URL: documents.epo.org Language: English - Date: 2014-04-29 09:11:07 Encodings Simplified molecular-input line-entry specification Benzoic acid ChemAxon Cyclohexane Indene Science Chemistry Cheminformatics Chemical nomenclature
59	ADRIANA.Code Algorithms for the Encoding of Molecular Structures Version[removed]Program Description Molecular Networks GmbH Computerchemie Add to Reading List Source URL: www.molecular-networks.com Language: English - Date: 2013-07-30 10:12:56 Mathematical chemistry Molecular descriptor Medicinal chemistry Pharmacology Encodings Select Molecule Molecular geometry Simplified molecular-input line-entry specification Cheminformatics Science Chemistry
60	DAYLIGHT Chemical Information Systems, Inc. Daylight Web Services Network Access to Add to Reading List Source URL: www.daylight.com Language: English - Date: 2007-09-12 15:15:38 Parallel computing Chemical nomenclature Simplified molecular-input line-entry specification Scaffolding Apache Axis Computer cluster Scaffold Computing Cheminformatics Encodings

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