Browsing ICR Divisions by author "Firth, Nicholas"
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MOARF, an Integrated Workflow for Multiobjective Optimization: Implementation, Synthesis, and Biological Evaluation.
Firth, NC; Atrash, B; Brown, N; Blagg, J (AMER CHEMICAL SOC, 2015-06-22)We describe the development and application of an integrated, multiobjective optimization workflow (MOARF) for directed medicinal chemistry design. This workflow couples a rule-based molecular fragmentation scheme (SynDiR) ...