Cheminformatics

Results: 1164



#Item
881Cheminformatics / Medicinal chemistry / Computational chemistry / Quantitative structure–activity relationship / Androgen receptor / Benzene / Endocrine disruptor / Steroid / Receptor antagonist / Chemistry / Biology / Pharmacology

SAR and QSAR in Environmental Research, Vol[removed]–6), October–December 2003, pp. 373–388 COMPARATIVE MOLECULAR FIELD ANALYSIS (CoMFA) MODEL USING A LARGE DIVERSE SET OF NATURAL, SYNTHETIC AND ENVIRONMENTAL

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Source URL: www.fda.gov

Language: English
882Medicinal chemistry / Computational chemistry / Science / Cheminformatics / Quantitative structure–activity relationship / Solubility / Toxicity / Chemistry / Pharmacology / Toxicology

Initial Evaluation of QSAR Modeling for Screening the CCL Universe to the PCCL - Report for the NDWAC CCL Work Group Plenary Meeting September 17-18, 2003

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Source URL: www.epa.gov

Language: English - Date: 2009-07-30 15:20:00
883Pharmacology / Quantitative structure–activity relationship / Chemistry / Science / Cheminformatics / Computational chemistry / Medicinal chemistry

Draft Meeting Agenda - CCL Classification Process Work Group Meeting September 17-18, 2003

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Source URL: www.epa.gov

Language: English - Date: 2009-07-30 15:19:46
884Encodings / Simplified molecular-input line-entry specification / Benzoates / Cholesteryl benzoate / Trimellitic anhydride chloride / Chemistry / Chemical nomenclature / Cheminformatics

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

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Source URL: www.fda.gov

Language: English
885Science / Cheminformatics / Computational chemistry / Quantitative structure–activity relationship / Structure–activity relationship / Toxic Substances Control Act / Medicinal chemistry / Chemistry / Pharmacology

Meeting Summary - CCL Classification Process Work Group Meeting September 17-18, 2003

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Source URL: www.epa.gov

Language: English - Date: 2009-07-30 15:20:30
886Medicinal chemistry / Cheminformatics / Clinical research / Drug discovery / Quantitative structure–activity relationship / Endocrine disruptor / Drug design / Molecular descriptor / Tamoxifen / Pharmaceutical sciences / Chemistry / Pharmacology

Articles Prediction of Estrogen Receptor Binding for 58,000 Chemicals Using an Integrated System of a Tree-Based Model with Structural Alerts Huixiao Hong,1 Weida Tong,1 Hong Fang,1 Leming Shi,2 Qian Xie,1 Jie Wu,1 Roge

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Source URL: www.fda.gov

Language: English
887Computational chemistry / Pharmacology / Medicinal chemistry / Quantitative structure–activity relationship / Molecular descriptor / Cheminformatics / Chemistry / Science

Estimation of Toxicity Using the Toxicity Estimation Software Tool (TEST)

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Source URL: nepis.epa.gov

Language: English
888Medicinal chemistry / Pharmacology / Quantitative structure–activity relationship / Chemistry / Universe / Drinking water / Science / Cheminformatics / Computational chemistry

Summary of Activities and Next Steps - Report for the NDWAC CCL Work Group September 17, 2003

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Source URL: www.epa.gov

Language: English - Date: 2009-07-30 15:19:50
889Chemical nomenclature / Encodings / ISIS/Draw / Health informatics / Identifiers / International Chemical Identifier / Accelrys / Simplified molecular-input line-entry specification / Polymer / Science / Chemistry / Cheminformatics

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

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Source URL: accelrys.com

Language: English - Date: 2011-08-19 14:54:42
890Science / Cheminformatics / Pharmacology / Endocrinology / Estrogens / Quantitative structure–activity relationship / Endocrine disruptor / Pharmacophore / Drug discovery / Pharmaceutical sciences / Chemistry / Medicinal chemistry

SAR and QSAR in Environmental Research, 2002 Vol[removed]), pp. 69–88 AN INTEGRATED “4-PHASE” APPROACH FOR SETTING ENDOCRINE DISRUPTION SCREENING PRIORITIES— PHASE I AND II PREDICTIONS OF ESTROGEN RECEPTOR BINDING

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Source URL: www.fda.gov

Language: English
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