BRADSHAW: a system for automated molecular design.
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ABSTRACT:
SUBMITTER: Green DVS
PROVIDER: S-EPMC7292824 | biostudies-literature | 2020 Jul
REPOSITORIES: biostudies-literature
Publications
BRADSHAW: a system for automated molecular design.
Green Darren V S DVS Pickett Stephen S Luscombe Chris C Senger Stefan S Marcus David D Meslamani Jamel J Brett David D Powell Adam A Masson Jonathan J
Journal of computer-aided molecular design 20191021 7
This paper introduces BRADSHAW (Biological Response Analysis and Design System using an Heterogenous, Automated Workflow), a system for automated molecular design which integrates methods for chemical structure generation, experimental design, active learning and cheminformatics tools. The simple user interface is designed to facilitate access to large scale automated design whilst minimising software development required to introduce new algorithms, a critical requirement in what is a very fast ...[more]
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