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Tools & Metrics

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Displaying 1 - 10 of 21

AI4Green: An Open-Source ELN for Green and Sustainable Chemistry

An Electronic Laboratory Notebook (ELN) combining features, including data archival, collaboration tools, and green and sustainability metrics for organic chemistry. AI4Green is a web-based application, available as open-source code and free to use. It offers the core functionality of an ELN, namely, the ability to store reactions securely and share them among different members of a research team.

Analytical Method Greenness Score (AMGS) Calculator

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.

Biocatalysis Guide

The Biocatalysis Guide is a simple double-sided, single-sheet guide to the currently most used enzyme classes amongst the ACS GCI Pharmaceutical Roundtable member companies. It has been produced to be an easy to follow guide for chemists who have not had significant exposure to biocatalysis, showing generic transformations that are available so these can be factored into retrosynthetic analysis. In order to keep the sheet easy to read it is not an exhaustive guide to every transformation and it does not carry literature references.

Chem21 Solvent Selection Guide

The Chem21 Solvent Selection Guide was produced through an academic-industry consortium in 2016. The consortium surveyed existing solvent guides from various organizations and companies, seeking to elaborate a standard ranking methodology. The methodology is based on easily available physical properties and GHS statements, permitting anyone to establish safety, health, and environment criteria of any solvent, even if full data on the solvents are not yet available. The guide includes classical and less-classical (including bio-derived) solvents.

Convergent Process Mass Intensity Calculator

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.

EPI Suite™

The EPI (Estimation Programs Interface) Suite™ is a suite of Windows-based programs developed by the EPA in collaboration with Syracuse Research Corp. (SRC). It provides estimations for a variety of physical, chemical, and environmental fate properties using a unified input format. The suite includes the following estimation programs:

Green Chemistry and Engineering Learning Platform (GChELP)

A range of free, shareable, and interactive educational and training materials created to promote the uptake of green and sustainable methodologies in the synthesis of pharmaceuticals. More than thirty multimedia modules cover topics in six core skill areas: Foundations of Green Chemistry and Engineering, Guides and Metrics, Solvents, Synthetic Toolbox, Process Design, and Life Cycle Impacts. 

Green Chemistry Innovation Scorecard Calculator

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.

Green Chemistry Toolkit Yale-UNIDO

The Green Chemistry Toolkit is an interactive learning resource developed as part of the Global Green Chemistry Initiative – a project led by the United Nations Industrial Development Organization (UNIDO) in partnership with the Center for Green Chemistry and Green Engineering at Yale. This resource aims to facilitate general global awareness and capacities to interested individuals from industry, the public sector, and academia alike.