期刊
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING
卷 15, 期 4, 页码 328-337出版社
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/138620712799361825
关键词
Binding affinity prediction; computer-aided drug design; de novo design; database searching; lead optimization
Over the past decade, there have been remarkable advances in the area of computer-aided drug design (CADD), which has been applied at almost all stages in the drug discovery pipeline. The generation of initial lead compounds and the subsequent optimization aimed at improving potency and pharmacological properties are the core activities among all. The development in these aspects over the past years will be the focus of this review.
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