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Developer’s Description
By Inte:Ligand
ilib diverse creates virtual drug-like compound libraries using a heuristic fragment combination approach. ilib diverse is intuitive to use, and offers a lot more than the essential features for virtual library generation.
Compounds are built by combining user-defined fragments according to state-of-the-art chemical knowledge. Various user-adjustable contraints allow a combinatorial approach providing good structural diversity on the one hand and fast, automated lead structure modification on the other hand. Monte Carlo techniques guarantee good structural diversity in both cases.
Used ilib diverse for Windows? Share your experience and help other users.
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