Chemoinformatics

• Autores: Peter Willett
• Localización: Encyclopedia of library and information sciences / coord. por Marcia J. Bates, Vol. 2, 2010 (CD-ROM-domain), págs. 920-930
• Idioma: inglés
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• Resumen

  • The entry summarizes the principal tools in modern chemoinformatics systems, principally in the pharmaceutical industry. These tools enable molecules to be selected for biological testing as potential drugs, and include methods for searching databases of two-dimensional and three-dimensional chemical structures, and for predicting the properties of molecules from their structures