that is written like an advertisement . please help improve it by removing promotional content and inappropriate external links and by adding encyclopedic content written from a neutral point of view . october 2013 learn how and when to remove this template message advanced chemistry development inc. acd labs type private industry life sciences chemistry software founded 1994 headquarters toronto on canada toronto ontario canada area served global products integrated chemical and analytical knowledge management analytical data hanlding molecular property prediction & modelling computer assisted structure elucidation chemical structure drawing chemical nomenclature . website www.acdlabs.com advanced chemistry development inc. acd labs is a software company that provides solutions in support of small molecule chemistry r & d. the company is headquartered in toronto canada with direct sales offices in the uk germany france china and india . their distribution channel extends throughout europe to australia s. america and africa . acd labs provides enterprise solutions for analytical data handling and knowledge management ; molecular property modelling and property based design to a variety of industries including pharma biotech fine chemicals consumer goods agrochemicals petrochemicals food and beverage academic institutions and government organizations . contents 1 history 2 products 3 see also 4 references history edit acd labs was founded in 1994 and remains a private company . in 2009 the company merged with pharma algorithms to expand its molecular property prediction and modelling capabilities . products edit acd spectrus platform a chemically intelligent software platform that provides a uniform environment for multi vendor multi technique analytical data processing analysis interpretation and knowledge management . applications support nmr hyphenated ms chromatography raman ir thermal analysis tga dsc and other major analytical techniques . solutions can be configured to provide full automation options and integration with existing systems eln lims archive registries erps is possible . acd percepta platform provides prediction and modelling of physicochemical pka logd solubility adme blood brain barrier 1 cyp 450 regioselectivity 2 and toxicity genotoxicity herg inhibition 3 endpoints ; and the capability to design or modify structures to attain a desired property profile . proprietary computational algorithms predicts physiochemical . mass spectrometry software the basic application acd spectrus processor includes lc ms processing and fragment spectrum assignment . modules to predict fragmentation pathways targeted and non targeted deconvolution and identification of compounds by spectral comparison are available . nmr software offers simultaneous processing of 1d and 2d nmr data . structures can be embedded in the spectrum and fully assigned to chemical shifts . multiplet analysis is done in the background during processing . nmr spectrum prediction is available for 1h 13c 19f 15n 31p and h h ; h c as well as h n correlations . chromatographic method development and optimization a variety of applications offer method development with full instrument control for waters empower and agilent chemstation ; modelling and optimization of lc and gc methods ; prediction of chromatograms and retention time ; and databasing of separations . optical processing interpretation and databasing of raman ir and other optical techniques . a clustering tool is also available . acd structure elucidator computer assisted structure elucidation case software that uses nmr and ms data to suggest all possible chemical structures that fit given data and takes into account structure suggestions . 4 acd name nomenclature package capable of producing systematic multi lingual iupac names as well as names based on other popular conventions cas smiles inchi based on chemical structure . acd chemsketch chemical drawing tool freeware available to academic institutions see also edit international union of pure and applied chemistry computer assisted drug design qsar structural elucidation scientific data management system analytical chemistry instrumental chemistry references edit kiril lanevskij et al. ionization specific prediction of blood brain permeability journal of pharmaceutical sciences volume 98 issue 1 pages 122 134 january 2009 http onlinelibrary.wiley.com doi 10.1002 jps .21405 abstract pranas japertas et al. trainable in silico screening filter for various human cytochrome p450 isoforms inhibition liability http www.acdlabs.com download publ 2010 qsar10 cyp.pdf andrius sazonovas et al. galas modeling methodology applications in the prediction of drug safety related properties http www.acdlabs.com download publ 2009 issx09 galas.pdf review article . progress in nmr spectroscopy 2007 1 comparison of pka prediction accuracy among 9 in silico predictors . retrieved from https en.wikipedia.org w index.php title advanced chemistry development & oldid 737423726 categories science softwarehidden categories articles with a promotional tone from october 2013all articles with a promotional tone navigation menu personal tools not logged intalkcontributionscreate accountlog in namespaces article talk variants views read edit view history more search navigation main pagecontentsfeatured contentcurrent eventsrandom articledonate to wikipediawikipedia store interaction helpabout wikipediacommunity portalrecent changescontact page tools what links hererelated changesupload filespecial pagespermanent linkpage informationwikidata itemcite this page print export create a bookdownload as pdfprintable version languages polski edit links this page was last modified on 2 september 2016 at 17 53 . text is available under the creative commons attribution sharealike license ; 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