Cheminformatics

Results: 1164



#Item
901Pharmaceutical sciences / Cheminformatics / Computational chemistry / Pharmacology / Drug discovery / Quantitative structure–activity relationship / Molecular descriptor / Structure–activity relationship / Drug design / Chemistry / Science / Medicinal chemistry

Environmental Toxicology and Chemistry, Vol. 22, No. 8, pp. 000–000, 2003 q 2003 SETAC Printed in the USA[removed] $[removed]Annual Review

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Source URL: www.fda.gov

Language: English
902Mathematical chemistry / Graph connectivity / Network theory / Topological index / Path / Wiener index / Graph / Tree / Distance / Graph theory / Mathematics / Cheminformatics

Microsoft Word - Mold2_SoftwareIntroduction_12012008.doc

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Source URL: www.fda.gov

Language: English
903Biostatistics / Statistical theory / Cancer / Pathology / Analysis of variance / Cross-validation / Nuclear magnetic resonance / Economic model / Statistical power / Statistics / Cheminformatics / Statistical tests

J. Chem. Inf. Comput. Sci. 2004, 44, [removed]Discriminant Function Analyses of Liver-Specific Carcinogens Richard D. Beger,*,† John F. Young,‡ and Hong Fang§

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Source URL: www.fda.gov

Language: English
904Medicinal chemistry / Cheminformatics / Pharmacology / Cell signaling / Computational chemistry / Quantitative structure–activity relationship / Pharmacophore / Drug design / Progesterone receptor / Biology / Chemistry / Science

PII: S0166[removed]

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Source URL: www.fda.gov

Language: English
905Bioinformatics / Statistical theory / Cheminformatics / Sensitivity and specificity / Screening / Validity / Prevalence / Accuracy and precision / Type I and type II errors / Statistics / Biostatistics / Medical statistics

Epidemiologic approach to genetic testing

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Source URL: www.cdc.gov

Language: English - Date: 2010-06-07 12:59:46
906Calcium sulfide / Sulfides

Cheminformatics and Toxicogenomics for Toxicity Prediction and Mechanistic Insight

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Source URL: www.epa.gov

Language: English - Date: 2013-07-24 10:38:48
907Science / Asymptotic analysis / Extrapolation / Data Matrix / Quantitative structure–activity relationship / Human papillomavirus / Cheminformatics / Interpolation / Chemistry

Supplemental Guidance for Final Category Analysis

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Source URL: www.epa.gov

Language: English - Date: 2009-10-02 11:21:37
908Cheminformatics / Medicinal chemistry / Pharmacology / Quantitative structure–activity relationship / Toxicology / Toxicity / CAS registry number / Chemistry / Science / Computational chemistry

OPERATION MANUAL for the ECOlogical Structure-Activity Relationship Model (ECOSAR) Class Program

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Source URL: www.epa.gov

Language: English - Date: 2012-06-28 09:39:41
909United States Environmental Protection Agency / Toxic Substances Control Act / Agency for Toxic Substances and Disease Registry / Toxicity / Government / United States / Environment / Cheminformatics / IUCLID / Toxicology

Microsoft Word - AIM Fact Sheet[removed]doc

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Source URL: www.epa.gov

Language: English - Date: 2008-01-24 10:17:41
910Medicinal chemistry / Pharmacology / Computational chemistry / Mathematical chemistry / Quantitative structure–activity relationship / Applicability Domain / Molecular descriptor / Partition coefficient / Topological index / Chemistry / Cheminformatics / Science

User’s Guide for T.E.S.T. (version[removed]Toxicity Estimation Software Tool) A Program to Estimate Toxicity from Molecular Structure ©2012 U.S. Environmental Protection Agency

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Source URL: www.epa.gov

Language: English - Date: 2014-08-05 13:48:59
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