Cheminformatics

(redirected from Chemical information)
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
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References in periodicals archive ?
Therefore, one must use a characterisation technique that yields chemical information about the investigated sample.
Bruker and Mestrelab Research have entered into a strategic partnership to advance chemistry software that handles spectroscopic data and extracts and manages chemical information from a variety of analytical techniques, including for example NMR and mass spectrometry.
Flavoromics aims to elucidate the molecules contributing to flavor perception by collecting as much chemical information as possible, by adapting concepts and tools taken from the science of metabolomics.
Key speakers include Shaikh Mohammed, GPIC president Dr Abdulrahman Jawahery, Ma'aden president and chief executive Khalid Al Mudaifer, CEO of China National Chemical Information Centre Consulting Peter Huang, International Fertiliser Association director general Charlotte Hebebrand and Maire Tecnimont Innovation Centre vice-president Robert Smulders.
Key speakers include Shaikh Mohamed; Dr Abdulrahman Jawahery, president of the Gulf Petrochemical Industries Company (GPIC); Khalid al-Mudaifer, president and CEO of Ma'aden; Peter Huang, CEO of China National Chemical Information Center Consulting; Charlotte Hebebrand, director general of International Fertilizer Association; and Robert Smulders, vice president of Maire Tecnimont Innovation Center, added the report.
--A paper in Journal of Chemical Information and Modeling describes computer models that use molecular structures to estimate the physicochemical features of a wide range of chemicals.
ACD/Labs' LUMINATA is an informatics system that enables organizations to establish effective impurity control strategies based on assembled analytical and chemical information, in a single environment.
Bond Orders and Energy Components: Extracting Chemical Information From Molecular Wave Functions
It will establish deadlines for the review of prioritized chemicals and action on identified risks and increase the public transparency of chemical information. Industry groups had sought a single, federal standard to eliminate the complexity of dealing with various state regulations that have been popping up across the nation.
Boynton added that by making tobacco chemical information available to the public and tobacco industry practice more transparent, those seeking this information may be less likely to start smoking and more likely to quit because they will be better informed about the toxic chemicals present in tobacco products.
The ability to print static information with inks gives customers the additional flexibility to pre-print static information on chemical labels required to pass BS5609 section 3 compliance and print additional specific chemical information through the CAB printer with an approved ribbon on an "as needed" basis.
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