Cheminformatics

Results: 1164



#Item
621Cheminformatics / Econometrics / Regression analysis / Medicinal chemistry / Pharmacology / Quantitative structure–activity relationship / Linear regression / Chemical polarity / Topological index / Chemistry / Statistics / Science

Appendix B Evaluation of the Molecular Connectivity Index [This page intentionally left blank.] Alternate Approach for Characterizing

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Source URL: www.epa.gov

Language: English - Date: 2012-11-15 10:40:21
622Toxicology / Environmental law / Cheminformatics / Substance of very high concern / Registration /  Evaluation /  Authorisation and Restriction of Chemicals / IUCLID / Material safety data sheet / Regulation of chemicals / European Chemicals Agency / Safety / Occupational safety and health / Health

REACH Supplier Frequently Asked Questions What is REACH? REACH is an acronym for the registration, evaluation, authorization, and the restriction of chemicals. REACH is a complex European Union (EU) chemical regulation

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Source URL: www.raytheon.com

Language: English - Date: 2014-09-29 13:24:16
623Cheminformatics / Encodings / Chemical databases / American Chemical Society / International Chemical Identifier / PubChem / CAS registry number / Simplified molecular-input line-entry specification / Zip / Science / Chemistry / Chemical nomenclature

DSSTox Log File: EPA Fathead Minnow Acute Toxicity Database (EPAFHM) (last updated 15 June 2007)

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Source URL: www.epa.gov

Language: English - Date: 2010-06-03 14:00:51
624Drug discovery / Cheminformatics / Computational chemistry / Pharmacology / Virtual screening / Chemical database / Chemical biology / GNU Debugger / Metabolism / Science / Pharmaceutical sciences / Chemistry

ARTICLES Quantifying biogenic bias in screening libraries Je´roˆme Hert, John J Irwin, Christian Laggner, Michael J Keiser & Brian K Shoichet © 2009 Nature America, Inc. All rights reserved.

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Source URL: shoichetlab.compbio.ucsf.edu

Language: English - Date: 2013-10-15 11:56:37
625Medicinal chemistry / Household chemicals / Mathematical chemistry / Insect repellents / Molecular descriptor / Quantitative structure–activity relationship / DEET / Partition coefficient / Vapor pressure / Chemistry / Cheminformatics / Science

doi:[removed]j.bmcl[removed]

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Source URL: www.afpmb.org

Language: English - Date: 2009-08-14 08:48:14
626Isomerism / Insect repellents / Cheminformatics / Icaridin / Chirality / Diastereomer / DEET / Stereocenter / Mosquito / Chemistry / Stereochemistry / Household chemicals

Pest Management Science Pest Manag Sci 61:1193–[removed]DOI: [removed]ps[removed]Chirality index, molecular overlay and

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Source URL: www.afpmb.org

Language: English - Date: 2009-07-31 09:36:44
627Knowledge / Quality control / Validity / Spectroscopy / Cheminformatics / Process analytical technology / Validation / Near-infrared spectroscopy / Chemometrics / Science / Pharmaceutical industry / Chemistry

A Regulatory Perspective on NIR Method Robustness Yubing Tang, Ph.D. FDA/CDER/ONDQA IFPAC, Baltimore MD

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Source URL: www.fda.gov

Language: English
628Cheminformatics / Database management systems / Toxicology / IUCLID / Registry of Toxic Effects of Chemical Substances / Toxicity / European Chemicals Bureau / MDL Information Systems / Permethrin / Chemistry / Pharmaceutical sciences / Science

Current Opinion in Drug Discovery & Development[removed]):[removed]Improving structure-linked access to publicly available chemical toxicity information Ann M Richard1*, ClarLynda R Williams1,2 , and Neal F. Cariello3 Ad

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Source URL: www.epa.gov

Language: English - Date: 2010-10-08 10:12:30
629United States Environmental Protection Agency / Human papillomavirus / Science / Papillomavirus / Cheminformatics / IUCLID

Robust Summaries & Test Plans: Lubricating Oil Basestocks Category; Cover Letter

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Source URL: www.epa.gov

Language: English - Date: 2006-08-04 12:59:51
630Computational chemistry / Chemical Markup Language / Open data / Chemist / Peter Murray-Rust / Jmol / Data mining / Semantic Web / Geographic information system / Science / Chemistry / Cheminformatics

7.2 Horiz 02 Chemistry.indd MH Colin NEW.indd

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Source URL: www.nature.com

Language: English - Date: 2008-02-06 12:54:07
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