Cheminformatics

Results: 1164



#Item
891Chemical substance / United States Environmental Protection Agency / Science / Environment / Hazardous waste / Cheminformatics / Government / Emergency Planning and Community Right-to-Know Act / 94th United States Congress / Toxic Substances Control Act / Chemistry

2006 Inventory Update Reporting: Data Summary The U.S. Environmental Protection Agency (EPA) is presenting for the first time a report on the 2006 collection of chemical data under the Toxic Substances Control Act (TSCA)

Add to Reading List

Source URL: www.epa.gov

Language: English - Date: 2013-02-11 12:11:09
892Computational chemistry / Medicinal chemistry / Pharmacology / Quantitative structure–activity relationship / Solubility / Science / Binning / Chemistry / Solutions / Cheminformatics

Binning as a Screening Process for the Universe to the PCCL - Report for the NDWAC CCL Work Group Plenary Meeting September 17-18, 2003

Add to Reading List

Source URL: www.epa.gov

Language: English - Date: 2009-07-30 15:20:05
893Drug discovery / Cheminformatics / Machine learning / Medicinal chemistry / Quantitative structure–activity relationship / Decision tree learning / In silico / Chemical library / Virtual screening / Pharmaceutical sciences / Science / Pharmacology

SAR and QSAR in Environmental Research, Vol. 16, No. 4, August 2005, 339–347 An in silico ensemble method for lead discovery: decision forest H. HONG†, W. TONG‡*, Q. XIE†, H. FANG† and R. PERKINS† †Divisio

Add to Reading List

Source URL: www.fda.gov

Language: English
894Pharmacy / Science / Clinical research / Health / European Union law / Knowledge / Directive 75/319/EEC / Directive 75/318/EEC / Medicinal chemistry / Pharmaceuticals policy / Cheminformatics

31985L0432 Council Directive[removed]EEC of 16 September 1985 concerning the coordination of provisions laid down by Law, Regulation or Administrative Action in respect of certain activities in the field of pharmacy Offic

Add to Reading List

Source URL: www.aic.lv

Language: English - Date: 2009-08-05 15:45:09
895Pharmaceutical sciences / Medicinal chemistry / Computational chemistry / Pharmacology / Drug discovery / Quantitative structure–activity relationship / Molecular descriptor / Drug design / Structure–activity relationship / Chemistry / Science / Cheminformatics

J. Chem. Inf. Comput. Sci. 1998, 38, [removed]Evaluation of Quantitative Structure-Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor†

Add to Reading List

Source URL: www.fda.gov

Language: English
896Medicinal chemistry / Chemistry / Cheminformatics / Computational chemistry / Clinical research / Quantitative structure–activity relationship / Applicability Domain / Drug discovery / Cross-validation / Pharmaceutical sciences / Pharmacology / Science

Assessment of Prediction Confidence and Domain Extraolation of Two Structure-Active Relationship Models for Predicting Estrogen Receptor Binding Activity

Add to Reading List

Source URL: www.fda.gov

Language: English
897Medicinal chemistry / Pharmacology / Mathematical chemistry / Computational chemistry / Quantitative structure–activity relationship / Molecular descriptor / Topological index / Cross-validation / Applicability Domain / Chemistry / Cheminformatics / Science

Mutagenesis vol. 19 no. 5 pp[removed], 2004 doi:[removed]mutage/geh043 Three new consensus QSAR models for the prediction of Ames genotoxicity

Add to Reading List

Source URL: www.fda.gov

Language: English
898Science / Cheminformatics / Pharmacology / Computational chemistry / Quantitative structure–activity relationship / Pharmacophore / Endocrine disruptor / Biological activity / Structure–activity relationship / Pharmaceutical sciences / Medicinal chemistry / Chemistry

Pure Appl. Chem., Vol. 75, Nos. 11–12, pp. 2375–2388, 2003. © 2003 IUPAC Workshop 1.2 Regulatory application of SAR/QSAR for priority setting of endocrine disruptors: A perspective*

Add to Reading List

Source URL: www.fda.gov

Language: English
899Cheminformatics / Medicinal chemistry / Computational chemistry / Pharmacology / Drug discovery / Quantitative structure–activity relationship / Chemometrics / Chemical database / Structure–activity relationship / Chemistry / Science / Pharmaceutical sciences

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

Add to Reading List

Source URL: www.fda.gov

Language: English
900Bioinformatics / Analytical chemistry / Cheminformatics / Nuclear magnetic resonance / Chemometrics / Metabolomics / Biomarker / Proteomics / Structural genomics / Chemistry / Science / Genomics

Resume: John David Baker

Add to Reading List

Source URL: www.fda.gov

Language: English
UPDATE