Cheminformatics

(redirected from Chemical Informatics)
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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They also look at recent developments in chemical informatics from such perspectives as a chemoinformatics approach to using lignin as a wood surface coating and the significance for assessing the feasibility of lignocellulose-based bioethanol in Indonesia, and high-performance grid computing for chemoinformatics.
Products include a market-leading electronic laboratory notebook, decision support software, and chemical informatics and sourcing databases.
2 contains chapters that include diversity-oriented synthesis, synthesis of large biological molecules, advances in sugar chemistry, and chemical informatics. The final volume contains 13 chapters, with drug discovery, target families, and genome and proteome studies among the main topics.
The School of Informatics, whose enrollment has steadily increased each year since its inception in 2000, offers five master's degree programs in health informatics, bioinformatics, chemical informatics, human computer interaction, and media arts and science.
Heading the panel are Dana Roth of the California Institute of Technology in Pasadena, and Gary Wiggins, director of the Chemical Informatics Center at Indiana University.
Li, a chemical information systems developer at a pharmaceutical giant, explains how to avoid dependence on a single software vendor by applying the software industry's best practices, principles, and patterns to problems in chemical informatics. He assumes readers have a basic knowledge of object-oriented analysis, design, and programming; UML; Java; and concepts of chemical registration and searching.
Skills in bioinformatics and chemical informatics are among the most sought-after now, says Dunn, "In the long run, companies will develop because of our students.
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