Synonymer & Information om | Engelska ordet CHEMINFORMATICS

Exempel på hur man kan använda CHEMINFORMATICS i en mening

• As subgraph isomorphism has been applied in the area of cheminformatics to find similarities between chemical compounds from their structural formula; often in this area the term substructure search is used.
• Application areas of kernel methods are diverse and include geostatistics, kriging, inverse distance weighting, 3D reconstruction, bioinformatics, cheminformatics, information extraction and handwriting recognition.
• Maximum common induced subgraph algorithms have a long tradition in bioinformatics, cheminformatics, pharmacophore mapping, pattern recognition, computer vision, code analysis, compilers, and model checking.
• In the 20th century, chemists developed standard ways to show structural formula, especially for individual organic compounds that were increasingly being synthesized and tested as potential drugs or agrochemicals, As stated in 2012, "searching for substructures in molecules belongs to the most elementary tasks in cheminformatics and is nowadays part of virtually every cheminformatics software".
• The qualitative advances helped open new scientific fields such as molecular modeling and QSAR, cheminformatics, the ‘-omics’ fields of genomics, proteomics, metabonomics and metabolomics, process modeling and process analytical technology.
• Embeddable web components and hosted cheminformatics services, for web developers and integrators, based on Chemicalize cloud infrastructure.
• Ekins has also carried out independent research and collaborative research on topics including pharmacophores for drug transporters, cheminformatics for predicting immunoassay cross reactivity, models for studying nuclear receptor-ligand co-evolution, computational models for PXR agonists and antagonists as well as analyses of large datasets and crowdsourcing data.
• Christoph Steinbeck (born 1966 in Neuwied) is a German chemist and has a professorship for analytical chemistry, cheminformatics and chemometrics at the Friedrich-Schiller-Universität Jena in Thuringia.

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