AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization
Abstract We here present AutoGrow4, an open-source program for semi-automated computer-aided drug discovery. AutoGrow4 uses a genetic algorithm to evolve predicted ligands on demand and so is not limited to a virtual library of pre-enumerated compounds. It is a useful tool for generating entirely no...
Main Authors: | Jacob O. Spiegel, Jacob D. Durrant |
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Format: | Article |
Language: | English |
Published: |
BMC
2020-04-01
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Series: | Journal of Cheminformatics |
Subjects: | |
Online Access: | http://link.springer.com/article/10.1186/s13321-020-00429-4 |
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