Virtual screening: an endless staircase?

被引：384

作者：

Schneider, Gisbert ^{[1
]}

机构：

[1] ETH, Swiss Fed Inst Technol, Inst Pharmaceut Sci, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland

来源：

NATURE REVIEWS DRUG DISCOVERY | 2010年 / 9卷 / 04期

关键词：

NATURAL-PRODUCTS; DRUG DISCOVERY; SCORING FUNCTIONS; LEAD DISCOVERY; CHEMISTRY; DESIGN; MACHINE; CHEMOGENOMICS; STRATEGIES; PREDICTION;

D O I：

10.1038/nrd3139

中图分类号：

Q81 [生物工程学（生物技术）]; Q93 [微生物学];

学科分类号：

071005 ; 0836 ; 090102 ; 100705 ;

摘要：

Computational chemistry - in particular, virtual screening - can provide valuable contributions in hit- and lead-compound discovery. Numerous software tools have been developed for this purpose. However, despite the applicability of virtual screening technology being well established, it seems that there are relatively few examples of drug discovery projects in which virtual screening has been the key contributor. Has virtual screening reached its peak? If not, what aspects are limiting its potential at present, and how can significant progress be made in the future?

引用

页码：273 / 276

页数：4

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