Calculator

The Process Mass Intensity (PMI) Prediction Calculator was created by the ACS GCI Pharmaceutical Roundtable member companies, with leadership from Bristol-Myers Squibb, to predict a range of probable process efficiencies of proposed synthetic routes at various phases of drug development. The tool uses historical PMI data from multiple pharmaceutical companies and predictive analytics (Monte Carlo simulations) to estimate the probable PMI ranges.

The PMI-LCA Tool is a high-level estimator of Process Mass Intensity (PMI) and environmental life cycle information that can be customized to fit a wide variety of linear and convergent processes for synthesis of small molecule active pharmaceutical ingredients (APIs). An ecoinvent dataset is utilized as the source of the life cycle impact assessment (LCIA) data.

PMI-LCA Tool Quick-Start Guide

Process Mass Intensity is a common metric used in industry to measure the overall amount (or mass) of materials used to create a given amount (mass) of product. This calculator builds on the original Process Mass Intensity (PMI) calculator to accommodate convergent synthesis. Developed by the ACS Green Chemistry Institute Pharmaceutical Roundtable, the Convergent PMI Calculator uses the same calculations but allows multiple branches for single-step or convergent synthesis.

Decreasing the overall quantity of materials used to manufacture a final product is a significant challenge for pharmaceutical companies. Because of the large amount of solvent used in typical manufacturing processes, decreasing materials used saves companies money (less purchased and less energy used in workup and isolation). The Process Mass Intensity (PMI) metric was developed as a way to benchmark and quantify improvements towards greener manufacturing processes.

This tool is a slightly different approach to accounting for Process Mass Intensity (PMI) by focusing on waste. A joint effort by the IQ Consortium, ACS GCI Pharmaceutical Roundtable, and academic leaders, this Green Chemistry Innovation Scorecard web calculator illustrates how green chemistry and engineering innovation can reduce waste mass during bulk active pharmaceutical manufacture. The calculator uses a statistical analysis of 64 bulk active pharmaceutical manufacturing processes encompassing 703 steps across 12 companies to provide a relative process greenness score.

Over the last decade, improvements in high-pressure liquid chromatography (from HPLC to UHPLC) and supercritical fluid chromatography (from SFC to UHP-SFC) have led to faster and more efficient separations. However, many of these improvements have yet to be implemented. To encourage analysts to develop greener methods, the Analytical Method Greeness Score (AMGS) calculator provides a straightforward metric to enable the comparison of separation methods used in drug development.