Environmental Hazard Assessment for Computer-Generated Alternative Syntheses

EPA Grant Number: R825329
Title: Environmental Hazard Assessment for Computer-Generated Alternative Syntheses
Investigators: Hendrickson, James B.
Institution: Brandeis University
EPA Project Officer: Hahn, Intaek
Project Period: October 15, 1996 through September 14, 1999
Project Amount: $275,235
RFA: Technology for a Sustainable Environment (1996) RFA Text |  Recipients Lists
Research Category: Sustainability , Pollution Prevention/Sustainable Development


The purpose of this project is to provide a fully operational version of the SYNGEN program for the rapid generation of all the shortest and least costly synthetic routes to any organic compound of interest. The final version will include a retrieval from literature databases of all precedents for the reactions generated. The intent of the program is to allow all such alternative syntheses for commercial chemicals to be assessed. Once this program is ready it will be equipped with environmental hazard indicators, such as toxicity, carcinogenicity, etc., for all the involved chemicals in each synthesis, to make possible a choice of alternative routes of less environmental hazard than any synthesis currently in use.

Publications and Presentations:

Publications have been submitted on this project: View all 3 publications for this project

Journal Articles:

Journal Articles have been submitted on this project: View all 1 journal articles for this project

Supplemental Keywords:

organic, pollution prevention, clean technology, waste minimization, environmentally conscious manufacturing, environmental chemistry, modeling, RFA, Scientific Discipline, Sustainable Industry/Business, Chemical Engineering, cleaner production/pollution prevention, Environmental Chemistry, Sustainable Environment, Technology for Sustainable Environment, Ecological Risk Assessment, cleaner production, computer generated alternative synthesis, environmentally conscious manufacturing, waste minimization, waste reduction, environmental hazard assessment, pollution prevention assessment, alternative materials, alternative synthetic pathways, modeling, process modification, computer generated alternatives, carcinogenicity, toxicity, innovative technology, pollution prevention, hazard assessment, industrial innovations, source reduction, alternative chemical synthesis, environmentally-friendly chemical synthesis

Progress and Final Reports:

  • 1997
  • 1998 Progress Report
  • Final