Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
Marwin SeglerInstitute of Organic Chemistry & Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, 48149 Münster, GermanyThierry KogejHit Discovery, Discovery Sciences, AstraZeneca R&D, Gothenburg, SwedenChristian TyrchanDepartment of Medicinal Chemistry, IMED RIA, AstraZeneca R&D, Gothenburg, SwedenMark P. WallerDepartment of Physics & International Centre for Quantum and Molecular Structures, Shanghai University, Shanghai, China
2017en
ABI
Аннотация
drug design cycle to generate large sets of novel molecules for drug discovery.
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