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The field of chemistry that integrates chemical data with analytic and molecular design tools finding the 'best- fitting' compounds to address particular targets; cheminformatics encompasses diversity analysis and library design, virtual screening, rational drug design, and tools and approaches for predicting activity and other properties from structure
References in periodicals archive ?
Consonni, Molecular Descriptors for Chemoinformatics, Vol I, WILEY-VCH Verlag GmbH, Weinheim (2009).
Reporting on research at the University of Bayreuth into constructive combinatorics based on the use of finite groups actions, the book describes, extends, and applies methods of computer chemistry and chemoinformatics that can be used in generating molecular structure, elucidating structure, combinatorial chemistry, quantitative structure-property relations (QSPR), generating chemical patent libraries, and other applications.
8220;The recent addition of the Dotmatics Electronic Laboratory Notebook offers a fully optimised and perfectly integrated addition to our existing chemoinformatics platform,” said John Atack, Professor of Molecular Pharmacology & Director of Translational Drug Discovery Group.
Her study involved use of techniques of chemoinformatics, the application of informatic methods to solve chemical problems, to screen the chemical structures of more than 1,700 food flavor ingredients for similarities to approved antidepressants, marketed drugs and agents with reported antidepressant activity.
Willet (2008) found that many of the most cited papers in the Journal of Chemical Information and Modeling describe software packages that play a key role in modern chemoinformatics research.
As for MetaDrug, it provides temporary use of non-downloadable software for use in data mining, and scientific research and analysis in the field of molecular biology, systems biology, chemoinformatics and bioinformatics.
Chemoinformatics and advanced machine learning perspectives; complex computational methods and collaborative techniques.
International Conference on Bioinformatics, Computational Biology, Genomics, and Chemoinformatics.
Chemoinformatics (building databases on chemical structures and chemical information) and combinatorial methodology (employed by the pharmaceutical industry to refine the structure of, and rapidly screen, chemicals) have the potential to alter the way in which biologically active molecules are isolated and tested.
Eli Lilly selected LeadScope's Enterprise chemoinformatics platform and Toxicity Database .
Recent Studies on Similarity Measures and its Applications to Chemoinformatics and Drug Design
On the basis of applications, the bioinformatics market is segmented into genomics, chemoinformatics & drug design, proteomics, transcriptomics, metabolomics and molecular phylogenetics.