dejunchem 发表于 2013-5-2 16:36:10

药物研发中的“匹配的分子对分析”


Matched Molecular Pair Analysis in drug discovery



   Multiple parameter optimisation in drug discovery is difficult, but Matched Molecular Pair Analysis (MMPA) can help. Computer algorithms can process data in an unbiased way to yield design rules and suggest better molecules, cutting the number of design cycles. The approach often makes more suggestions than can be processed manually and methods to deal with this are proposed. However, there is a paucity of contextually specific design rules, which would truly make the technique powerful. By combining extracted information from multiple sources there is an opportunity to solve this problem and advance medicinal chemistry in a matter of months rather than years.

dejunchem 发表于 2013-5-2 16:38:09

好东西不想多说

xufund 发表于 2013-5-2 21:57:00

好东西啊。请问是哪个期刊的？年，卷期页码能说下吗

blue_cat 发表于 2013-5-3 09:12:05

http://www.sciencedirect.com/science/article/pii/S1359644613000937

leos 发表于 2013-5-3 16:00:10

这和适合在公司做哎，如果结合qsar来做sidechain的替换，结果会不会跟更好那~~·

tanxijuan 发表于 2013-5-30 08:48:36

:)不错，多分享好资源

tanxijuan 发表于 2013-5-30 08:48:54

:)不错，多分享好资源

tanxijuan 发表于 2013-5-30 08:49:31

:)不错，多分享好资源

北京-构效 发表于 2013-6-12 08:39:39

多谢
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