Cheminformatics

Results: 1164



#Item
911Science / Cheminformatics / Medicine / Computational chemistry / Pharmacology / Quantitative structure–activity relationship / High Production Volume Chemicals Programme / Structure–activity relationship / Ecotoxicity / Medicinal chemistry / Toxicology / Chemistry

US EPA/The Use of Structure Activity Relationships (SAR) in the HPV Challenge Program

Add to Reading List

Source URL: www.epa.gov

Language: English - Date: 2009-10-02 11:23:21
912Cheminformatics / Chemometrics / Computational chemistry / Functional groups / Reel-to-reel audio tape recording / Carboxylic acid / VHS / Chemistry / Audio storage / Analytical chemistry

Truncated spectra in SPX (800 cm-1 to 1800 cm-1) Applied standard normal variate then mean centering in Matlab Chose 4 principa

Add to Reading List

Source URL: www.digitalpreservation.gov

Language: English - Date: 2013-09-23 05:53:44
913Mathematical chemistry / Theoretical chemistry / Chemical nomenclature / Chemical bond / Valence / Hydrogen bond / Molecular descriptor / Topological index / Covalent bond / Chemistry / Chemical bonding / Cheminformatics

Molecular Descriptors Guide September 2012

Add to Reading List

Source URL: www.epa.gov

Language: English - Date: 2014-08-05 13:48:57
914Calcium sulfide / Sulfides

Cheminformatics and Toxicogenomics for Toxicity Prediction and Mechanistic Insight

Add to Reading List

Source URL: epa.gov

Language: English - Date: 2013-07-24 10:38:48
915Toxicology / Cheminformatics / Computational chemistry / Pharmacology / Quantitative structure–activity relationship / Toxicity / Toxic Substances Control Act / Partition coefficient / Chemistry / Medicinal chemistry / Science

ESTIMATING TOXICITY OF INDUSTRIAL CHEMICALS

Add to Reading List

Source URL: www.epa.gov

Language: English - Date: 2012-06-28 09:39:36
916European Chemicals Bureau / Science / Occupational safety and health / Europe / IUCLID / Institute for Health and Consumer Protection / Benzene / Cheminformatics / Chemistry / Environmental law

European Chemicals Bureau Institute for Health and Consumer Protection European

Add to Reading List

Source URL: esis.jrc.ec.europa.eu

Language: English - Date: 2013-04-15 06:06:20
917Science / Academia / Cheminformatics / Medicinal chemistry / Chemistry

Biopharmaceutical Chemistry Focus Area

Add to Reading List

Source URL: umanitoba.ca

Language: English - Date: 2014-06-12 16:34:22
918Cheminformatics / 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

Add to Reading List

Source URL: www.epa.gov

Language: English - Date: 2012-06-28 09:39:41
919Toxicology / Cheminformatics / Computational chemistry / Pharmacology / Quantitative structure–activity relationship / Toxicity / Toxic Substances Control Act / Partition coefficient / Chemistry / Medicinal chemistry / Science

ESTIMATING TOXICITY OF INDUSTRIAL CHEMICALS

Add to Reading List

Source URL: www.epa.gov

Language: English - Date: 2012-06-28 09:39:36
920Bioinformatics / Computational chemistry / Genomics / Chemical databases / ChEMBL / Chemistry Development Kit / Metabolomics / Chemogenomics / CDK / Science / Cheminformatics / Computational science

Cheminformatics at the EBI: an update Following EMBL-EBI’s acquisition of the Galapagos NV large-scale drug discovery databases last year, Christoph Steinbeck and John Overington have been working hard to integrate the

Add to Reading List

Source URL: www.embl.de

Language: English - Date: 2013-11-05 22:54:55
UPDATE