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- Title
Computer-based de novo design of drug-like molecules.
- Authors
Schneider, Gisbert; Fechner, Uli
- Abstract
Ever since the first automated de novo design techniques were conceived only 15 years ago, the computer-based design of hit and lead structure candidates has emerged as a complementary approach to high-throughput screening. Although many challenges remain, de novo design supports drug discovery projects by generating novel pharmaceutically active agents with desired properties in a cost- and time-efficient manner. In this review, we outline the various design concepts and highlight current developments in computer-based de novo design.
- Publication
Nature reviews. Drug discovery, 2005, Vol 4, Issue 8, p649
- ISSN
1474-1776
- Publication type
Journal Article
- DOI
10.1038/nrd1799