Cheminformatics

Results: 1164



#Item
671United States Environmental Protection Agency / Toxic Substances Control Act / Toxicogenomics / CAS registry number / Chemical substance / Cheminformatics / Chemistry / Science / Toxicology

Microsoft PowerPoint - 9-Richard-ChemoinfCoP.ppt

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Source URL: www.epa.gov

Language: English - Date: 2012-05-07 10:12:59
672Toxicology / Drug discovery / Medicinal chemistry / Cheminformatics / Toxicogenomics / High-throughput screening / Endocrine disruptor / Quantitative structure–activity relationship / Toxicity / Pharmaceutical sciences / Science / Pharmacology

Microsoft Word - ToxCast BOSC dec2007final.doc

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Source URL: www.epa.gov

Language: English - Date: 2012-05-07 10:13:06
673Toxicology / Environmental law / Cheminformatics / Chemical safety assessment / Material safety data sheet / Substance of very high concern / IUCLID / Globally Harmonized System of Classification and Labelling of Chemicals / CLP Regulation / Safety / Occupational safety and health / Health

Open Solution to Reporting and Effectively Using TSCA Information

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Source URL: www.epa.gov

Language: English - Date: 2010-06-29 15:02:19
674Chemical databases / Toxicology / Computational chemistry / Biological databases / CAS registry number / International Chemical Identifier / PubChem / Toxicogenomics / Chemical Abstracts Service / Science / Chemistry / Cheminformatics

Microsoft Word - Richard.doc

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Source URL: toxnet.nlm.nih.gov

Language: English - Date: 2012-11-17 17:24:27
675Pharmacology / Cheminformatics / Computational chemistry / Quantitative structure–activity relationship / Mutagen / Transmission Control Protocol / 2 / 4 / 6-Tribromophenol / 2 / 4-Dichlorophenoxyacetic acid / Chloroethane / Chemistry / Organochlorides / Medicinal chemistry

APRIL[removed]APPENDIX PUBLIC COMMENT SUMMARY & RESPONSE DOCUMENT

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Source URL: www.epa.gov

Language: English - Date: 2012-11-15 11:46:45
676Medicinal chemistry / Pharmacology / Cheminformatics / Computational chemistry / Quantitative structure–activity relationship / Pharmacy / K-nearest neighbor algorithm / Cross-validation / Partition coefficient / Pharmaceutical sciences / Chemistry / Science

ALTEX Online first Published July 10 , 2014 http://dx.doi.org[removed]altex[removed]A k-NN Algorithm for Predicting the Oral SubChronic Toxicity in the Rat* Domenico Gadaleta1,2, Fabiola Pizzo1, Anna Lombardo1, Angelo C

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Source URL: www.altex.ch

Language: English - Date: 2014-07-10 10:01:15
677Cheminformatics / Chemistry / Computational chemistry / Drug discovery / Toxicity / Database / PubChem / Science / Toxicology / Chemical databases

Microsoft PowerPoint - 04_Richard.ppt

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Source URL: www.epa.gov

Language: English - Date: 2012-05-07 10:13:02
678Chemotype / Molecular descriptor / Biology / Quantitative structure–activity relationship / Cheminformatics / Chemistry / Science

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

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Source URL: www.epa.gov

Language: English - Date: 2013-04-10 16:29:06
679Mathematical chemistry / Science / Theoretical chemistry / Molecular descriptor / Molecular graph / Kernel / Positive-definite kernel / Graph / Mathematics / Graph theory / Cheminformatics

Optimal Assignment Kernels For Attributed Molecular Graphs Holger Fröhlich [removed] Jörg K. Wegner [removed]

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Source URL: www.machinelearning.org

Language: English - Date: 2008-12-01 11:14:36
680Medicine / Cheminformatics / IUCLID / Amines / Buffers / Human papillomavirus / Ecotoxicity / Toxicity / Tris / Toxicology / Chemistry / Papillomavirus

Robust Summaries & Test Plan: 2-amino-2-hydroxymethyl-1-3-propanediol; EPA Comments

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Source URL: www.epa.gov

Language: English - Date: 2009-12-02 08:28:45
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