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Cheminformatics: a tool for decision-makers in drug discovery.

Domenii publicaţii > Chimie + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: Olsson, Thomas; Oprea, Tudor I.

Editorial: Curr. Opin. Drug Discovery Dev., 4(3), p.308-313, 2001.


A review with 68 refs. Cheminformatics is a tool that aims at facilitating the decision-making process across various preclin. stages of drug discovery. Access to biol. and chem. data, but not the data themselves, is an integral part of cheminformatics. Emerging tools that allow storage of, and access to, chem., structural-chem. and biol. information are only now beginning to reach maturity. Recent advances in cheminformatics include virtual library anal. without enumeration and novel methods to investigate global chem. similarity and diversity voids. The most important task for cheminformatics is to constantly re-evaluate itself and its utility in the area of drug discovery, to provide probabilistic, rather than categorical predictions.

Cuvinte cheie: Databases (chem.; cheminformatics as a tool for decision-makers in drug discovery), Combinatorial library, Drug design (cheminformatics as a tool for decision-makers in drug discovery), Chemistry (computational; cheminformatics as a tool for decision-makers in drug discovery)