Automated Synthetic Feasibility Assessment: A Data-driven Derivation of Computational tools for Medicinal Chemistry
The planning of organic syntheses, a critical problem in chemistry, can be directly modeled as resource- constrained branching plans in a discrete, fully-observable state space. Despite this clear relationship, the full artillery of artificial intelligence has not been brought to bear on this proble...
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| Language: | en_ca |
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2014
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| Online Access: | http://hdl.handle.net/1807/65666 |