ACS Process Mass Intensity Calculator
Process mass intensity = quantity of raw materials input (kg) / quantity of bulk API out (kg)
Process is all steps of a synthetic path from commonly available materials to the final bulk active pharmaceutical ingredient (API).
Raw materials input is all materials, including water, that are used directly in the process of synthesizing, isolating, and purifying the API final form.
Bulk API out is the final form of the active ingredient that was produced in the synthesis, dried to the expected specification.
Choosing the Greenest Synthesis: A Multivariate Metric Green Chemistry Exercise
Sean M. Mercer, John Andraos, and Philip G. Jessop
J. Chem. Educ., 2012, 89 (2), pp 215-220
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Towards a holistic approach to metrics for the 21st century pharmaceutical industry
C. Robert McElroy, Andri Constantinou, Leonie C. Jones, Louise Summerton and James H. Clark
Green Chem., 2015, 17, 3111-3121
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Hazardous Chemicals Database:
http://cameochemicals.noaa.gov/