OOMMPPAA is a novel computational tool designed to inform compound design by combining structural and activity data. OOMMPPAA uses 3D matched molecular pairs to contextualise both activity and inactivity data in its relevant protein environment
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OOMMPPAA: a tool to aid directed synthesis by the combined analysis of activity and structural data.
Bradley AR, Wall ID, Green DV, Deane CM, Marsden BD.
J Chem Inf Model. 2014 Oct 27;54(10):2636-46. doi: 10.1021/ci500245d.