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Molecular descriptor
Results: 56

#	Item
21	CHEMOTYPES AND CHEMOTYPER: A new structure representation standard to include atomic/bond properties into structural alerts for toxicity effects and mechanisms C. Yang1,2, K. Arvidson2, A. Richard3, A. Worth4, A. Tarkhov Add to Reading List Source URL: epa.gov Language: English - Date: 2013-04-10 16:29:06 Chemotype Molecular descriptor Biology Quantitative structure–activity relationship Cheminformatics Chemistry Science
22	ENDOCRINE DISRUPTION MODELING Add to Reading List Source URL: www.fda.gov Language: English Science Pharmacology Computational chemistry Quantitative structure–activity relationship Medicine Endocrinology Molecular descriptor Endocrine disruptor Structure–activity relationship Cheminformatics Medicinal chemistry Chemistry
23	Journal of The Electrochemical Society, 153 共11兲 H209-H216 共2006兲 H209[removed]153共11兲/H209/8/$20.00 © The Electrochemical Society Add to Reading List Source URL: enose.jpl.nasa.gov Language: English - Date: 2013-02-04 15:48:42 Analytical chemistry Pharmacology Computational chemistry Medicinal chemistry Quantitative structure–activity relationship Matrix Molecular descriptor Chemistry Cheminformatics Science
24	Notes from experience in producing a thesaurus taxonomy Add to Reading List Source URL: cendi.dtic.mil Language: English Computer vision Information Knowledge Knowledge representation Image processing Thesaurus Subject Feature Molecular descriptor Science Information science Library science
25	Journal of The Electrochemical Society, 153 共11兲 H209-H216 共2006兲 H209[removed]153共11兲/H209/8/$20.00 © The Electrochemical Society Add to Reading List Source URL: enose.jpl.nasa.gov Language: English - Date: 2013-02-04 15:48:41 Analytical chemistry Pharmacology Computational chemistry Medicinal chemistry Quantitative structure–activity relationship Matrix Molecular descriptor Chemistry Cheminformatics Science
26	Package Vignette SimuChemPC Mohsen Ahmadi mohsen [removed] Add to Reading List Source URL: cran.r-project.org Language: English - Date: 2014-08-31 02:06:14 Cheminformatics Statistics Pharmacology Data file Files Quantitative structure–activity relationship Structure–activity relationship Statistical hypothesis testing Molecular descriptor Medicinal chemistry Science Chemistry
27	doi:[removed]j.bmcl[removed] Add to Reading List Source URL: www.afpmb.org Language: English - Date: 2009-08-14 08:48:14 Medicinal chemistry Household chemicals Mathematical chemistry Insect repellents Molecular descriptor Quantitative structure–activity relationship DEET Partition coefficient Vapor pressure Chemistry Cheminformatics Science
28	CHEMOTYPES AND CHEMOTYPER: A new structure representation standard to include atomic/bond properties into structural alerts for toxicity effects and mechanisms C. Yang1,2, K. Arvidson2, A. Richard3, A. Worth4, A. Tarkhov Add to Reading List Source URL: www.epa.gov Language: English - Date: 2013-04-10 16:29:06 Chemotype Molecular descriptor Biology Quantitative structure–activity relationship Cheminformatics Chemistry Science
29	Optimal Assignment Kernels For Attributed Molecular Graphs Holger Fröhlich [removed] Jörg K. Wegner [removed] Add to Reading List Source URL: www.machinelearning.org Language: English - Date: 2008-12-01 11:14:36 Mathematical chemistry Science Theoretical chemistry Molecular descriptor Molecular graph Kernel Positive-definite kernel Graph Mathematics Graph theory Cheminformatics
30	Package ‘rcdk’ August 31, 2014 Version 3.3.0 Date 2014-08-30 Title rcdk - Interface to the CDK Libraries Maintainer Rajarshi Guha Add to Reading List Source URL: cran.r-project.org Language: English - Date: 2014-08-31 02:05:45 Cheminformatics Quantum chemistry Chemical nomenclature Mathematical chemistry Molecular descriptor Chemical bond Electron Molecule Chemical formula Chemistry Science Physics

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