ilib diverse for Windows

Name: ilib diverse
Rating: 4 (1 reviews)
Author: Inte:Ligand

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Key Details of ilib diverse

generation of virtual 3D molecular libraries
Last updated on June 29, 2015
There have been 9 updates
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Developer’s Description

By Inte:Ligand

generation of virtual 3D molecular libraries

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.