article from RealWire
Cambridge, UK, 3 October 2011 – The Cambridge Crystallographic Data Centre (CCDC) today announced the CSD in solid form Suite for pharmaceutical and agrochemical development support. With a knowledge-based approach of the fixed form Suite provides guidance and decision support for form and selection process, so that by quality design at an early stage.
“Solid form computer science deals with the distillation of the vast amounts of data in the Cambridge Structure Database (CSD) into targeted and actionable information to develop routes, potential polymorphisms and the associated production risks,” says Dr. Colin Groom, Executive Director of the CCDC. “The introduction of a fixed form Informatics approach will help to significantly reduce the risk of late-stage errors, which is so expensive for the industry.” Developed by a consortium of major pharmaceutical and agrochemical companies, the CSD in solid form suite includes predictive analytics methods are that the use of millions of intermolecular interactions stored in the CSD to enter on polymorphism and aid cooperation to make informed former design. Statistical models of corresponding structures in the CSD, the information about the environment of functional groups capsules are built, so the prediction is specific to the target molecule. The CSD in solid form suite was developed to integrate properly into a pharmacy laboratory workflow and provides the results in a form that supports form-screening, selection and risk assessment. After a member of the consortium, “Crystal polymorphism is an important risk factor for drug product manufacture and performance, and remains a major problem in drug development thrust. The CSD in solid form Suite with its newly developed hydrogen bonding propensity tool to scientists help reduce the risk of polymorphism so that they develop informed decisions on the crystalline form to quantify. This tool, used to known crystal structures, and even 2D interpretations of a molecular structure is safe, the experimental screening ahead and selection of drugs crystal forms, the first step to securing the Quality by Design is built in drugs. “The CSD suite in solid form is normally at the end of November 2011 as part of the upcoming release of the CSD-2012 system. For more information about the CSD in solid form Suite, visit http://www.ccdc.cam.ac.uk/products/csd_solid_form_suite or solid form for the upcoming webinar series on Informatics http://www.ccdc.cam . ac register. uk / events / registration
About
CCDC CCDC is a leading provider of structural knowledge bases, and computer science applications for pharmaceutical, agrochemical and materials development. Origin in the Department of Chemistry at the University of Cambridge, the CCDC is now a fully independent institution constituted as a non-profit organization and a registered charity since 1989. The CCDC compile and distribute the Cambridge Structural Database (CSD), the world’s repository of experimentally determined organic and organometallic crystal structures and the associated software applications, including gold and Relibase +. The CCDC also has a strong track record in basic research to more than 700 peer-reviewed publications.
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