Driving Aspirational Process Mass Intensity Using Simple Structure-Based Prediction

An important metric for gauging the impact that a synthetic route has on chemical resources, cost, and sustainability is process mass intensity (PMI). Calculating the overall PMI or step-PMI for a given synthesis from a process description is more and more common across the pharmaceutical industry,...

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Bibliographic Details

Published in:	Organic process research & development Vol. 26; no. 5; pp. 1405 - 1410
Main Authors:	Sherer, Edward C., Bagchi, Ansuman, Kosjek, Birgit, Maloney, Kevin M., Peng, Zhengwei, Robaire, Sandra A., Sheridan, Robert P., Metwally, Essam, Campeau, Louis-Charles
Format:	Journal Article
Language:	English
Published:	American Chemical Society 20-05-2022
Subjects:	SMART-PMI machine learning PMI green chemistry process mass intensity
Online Access:	Get full text
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