Journal
ORGANIC PROCESS RESEARCH & DEVELOPMENT
Volume 20, Issue 4, Pages 760-773Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.oprd.6b00015
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- AstraZeneca
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An interactive tool has been developed to facilitate solvent selection, allowing consideration of chemical functionality, physical properties, regulatory concerns, and safety/health/environmental (SHE) impact. Appropriate solvents can be identified prior to screening experiments, and less desirable solvents can be replaced in established processes. Once a shortlist has been identified, the data can define experimental programs or else be exported to a molecular properties prediction tool to assess suitability through, e.g., solubility and partitioning.
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