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211	Putz Chemistry Central Journal 2011, 5:29 http://journal.chemistrycentral.com/contentRESEARCH ARTICLE Open Access Add to Reading List Source URL: journal.chemistrycentral.com Language: English Cheminformatics Pharmacology Computational chemistry Quantitative structure–activity relationship Structure–activity relationship Chemical structure Chemistry Medicinal chemistry Science
212	CCP4 WG1 Meeting January 2015 Minutes Present: Dave Brown (Kent, Chair), Arnaud Basle (Newcastle), Ben Bax (GSK), Katherine Brown (Cambridge), Randy Cambridge (Cambridge), Atlanta Cook (Edinburgh), Kevin Cowtan (York), J Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2015-01-19 05:07:40 Computational chemistry Drug discovery Inorganic chemistry CCP4 Bioinformatics Ligand Coordination complex Cheminformatics Chemistry Science Coordination chemistry
213	European Chemicals Agency P.O. Box 400 FIHelsinki http://echa.europa.eu Evaluation under REACH Progress Report Add to Reading List Source URL: www.esig.org Language: English - Date: 2010-03-02 03:42:32 Cheminformatics Science European Union Evaluation Health law Registration Evaluation Authorisation and Restriction of Chemicals IUCLID Substance of very high concern CLP Regulation Safety Toxicology Health
214	5.10 Additional File 10: Information included in OpenTox Reports Information that should be included in most OpenTox reports is as follows:_Â¶_ General information Date Runtime User (if available) Add to Reading List Source URL: jcheminf.com Language: English Cheminformatics Computational chemistry Medicinal chemistry Pharmacology Quantitative structure–activity relationship Regression model validation Validation Statistics Science Chemistry
215	Legal Secretariat The text the Swedish Chemicals Agency reproduces here is a translation of the Swedish text contained in the Swedish Code of Statutes In any matters of dispute, the Swedish text only shall apply. Add to Reading List Source URL: kemi.se Language: English - Date: 2011-10-03 09:16:50 Cheminformatics Biocide European Chemicals Bureau European Union directives Biocidal Products Directive European Union
216	Advances in Handheld, Field-Based Chemical Identification Duane Sword Ahura Scientific, Inc. 46 Jonspin Road, Wilmington, MAAbstract Add to Reading List Source URL: www.nbcsec.fi Language: English - Date: 2011-03-02 12:46:49 Cheminformatics Raman spectroscopy Chemometrics Spectroscopy Fourier transform infrared spectroscopy Infrared spectroscopy FirstDefender Chemistry Science Analytical chemistry
217	Eigner-Pitto et al. Journal of Cheminformatics 2012, 4(Suppl 1):O17 http://www.jcheminf.com/content/4/S1/O17 ORAL PRESENTATION Open Access Add to Reading List Source URL: www.jcheminf.com Language: English Cheminformatics Chemistry Pitto Chemistry Central PubMed Central Data mining O17 Science Computational chemistry Drug discovery
218	5.6 Additional File 6: Initial Implemented OpenTox Algorithms Algorithm web services are key components of the overall OpenTox Framework and also important parts of Use Case-related implementations, as they are responsib Add to Reading List Source URL: jcheminf.com Language: English Computational statistics Data analysis Cheminformatics Multivariate statistics Formal sciences JOELib K-means clustering Feature selection Cluster analysis Statistics Machine learning Science
219	Extraction, Analysis, Atom Mapping, Classification and Naming of Reactions from Pharmaceutical ELNs Roger Sayle, Daniel Lowe, Noel O’Boyle NextMove Software, Cambridge, UK Michael Kappler, Hoffmann-La Roche, Nutley, NJ Add to Reading List Source URL: cisrg.shef.ac.uk Language: English - Date: 2013-08-05 08:27:16 Drug discovery Science Computational chemistry Cheminformatics Chemistry
220	A diverse and extensive dataset for the validation of pharmacophore programs Add to Reading List Source URL: cisrg.shef.ac.uk Language: English - Date: 2013-08-06 06:56:08 Statistics PROSITE Cheminformatics Sequence motif Root-mean-square deviation Pharmacophore Coordination complex Protein domain Science Chemistry Bioinformatics

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