Combinatorial informatics in the post-genomics era
Autor: | F. Raymond Salemme, Dimitris K. Agrafiotis, Victor S. Lobanov |
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Rok vydání: | 2002 |
Předmět: |
Pharmacology
Process (engineering) Computer science Drug discovery Suite Scale (chemistry) Nanotechnology Genomics General Medicine Post genomics chemistry.chemical_compound chemistry Research Design Informatics Drug Discovery Key (cryptography) Chemogenomics Combinatorial Chemistry Techniques Biochemical engineering |
Zdroj: | Nature Reviews Drug Discovery. 1:337-346 |
ISSN: | 1474-1784 1474-1776 |
Popis: | The multitude of potential drug targets emerging from genome sequencing demands new approaches to drug discovery. A chemogenomics strategy, which involves the generation of small-molecule compounds that can be used both as tools to probe biological mechanisms and as leads for drug-property optimization, provides a highly parallel, industrialized solution. Key to the success of this strategy is an integrated suite of chemi-informatics applications that can allow the rapid and directed optimization of chemical compounds with drug-like properties using 'just-in-time' combinatorial chemical synthesis. An effective embodiment of this process requires new computational and data-mining tools that cover all aspects of library generation, compound selection and experimental design, and work effectively on a massive scale. |
Databáze: | OpenAIRE |
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