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Cheminformatics
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#	Item
551	O’Boyle et al. Journal of Cheminformatics 2014, 6(Suppl 1):O5 http://www.jcheminf.com/content/6/S1/O5 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Cheminformatics Drug discovery Journal of Medicinal Chemistry Chemistry Central Medicinal chemistry Chemistry Science
552	CHEMOTYPES AND CHEMOTYPER: A new structure representation standard to include atomic/bond properties into structural alerts for toxicity effects and mechanisms C. Yang1,2, K. Arvidson2, A. Richard3, A. Worth4, A. Tarkhov Add to Reading List Source URL: epa.gov Language: English - Date: 2013-04-10 16:29:06 Chemotype Molecular descriptor Biology Quantitative structure–activity relationship Cheminformatics Chemistry Science
553	Microsoft PowerPoint - 04_Richard.ppt Add to Reading List Source URL: epa.gov Language: English - Date: 2012-05-07 10:13:02 Cheminformatics Chemistry Computational chemistry Drug discovery Toxicity Database PubChem Science Toxicology Chemical databases
554	Hilbig and Rarey Journal of Cheminformatics 2012, 4(Suppl 1):O4 http://www.jcheminf.com/content/4/S1/O4 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Chemistry Computational chemistry Bioinformatics Virtual screening Drug discovery Science Cheminformatics
555	Ertl Journal of Cheminformatics 2010, 2:1 http://www.jcheminf.com/content[removed]REVIEW Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Software JME Molecule Editor Molecule editor Java applet JME Simplified molecular-input line-entry specification JavaScript Chemical database Applet Computing Science Cheminformatics
556	Robust Summaries & Test Plan: 1,2-dimethyl-4-nitrobenzene; Cover Letter Add to Reading List Source URL: www.epa.gov Language: English - Date: 2009-10-15 09:15:31 Mononitrotoluene Nitrobenzene Amine Science European Chemicals Bureau Cheminformatics IUCLID Chemistry
557	Microsoft PowerPoint - Data Mining 3.ppt [Compatibility Mode] Add to Reading List Source URL: secure.hosting.vt.edu Language: English - Date: 2013-01-16 17:02:03 Bioinformatics Medical statistics Cheminformatics Statistical classification Sensitivity and specificity Type I and type II errors Boolean data type Gain Receiver operating characteristic Statistics Science Biostatistics
558	Robust Summaries & Test Plan: Sodium 2-(2-dodecyloxyethoxy) ethyl sulfate; Transmittal Letter Add to Reading List Source URL: www.epa.gov Language: English - Date: 2010-04-12 09:21:55 Toxicology Ethoxylation Ether Nitrile Median lethal dose Chemistry Cheminformatics IUCLID
559	Microsoft Word - ToxCast BOSC dec2007final.doc Add to Reading List Source URL: epa.gov Language: English - Date: 2012-05-07 10:13:06 Toxicology Drug discovery Medicinal chemistry Cheminformatics Toxicogenomics High-throughput screening Endocrine disruptor Quantitative structure–activity relationship Toxicity Pharmaceutical sciences Science Pharmacology
560	Generated by RCSB PDB for NEW1 Summary Report for Review Re po Add to Reading List Source URL: www.wwpdb.org Language: English - Date: 2010-08-05 17:06:20 Encodings Simplified molecular-input line-entry specification Science Chemistry Chemical nomenclature Cheminformatics

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