Journal
DRUG DISCOVERY TODAY
Volume 18, Issue 15-16, Pages 724-731Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2013.03.003
Keywords
-
Categories
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available