Coupled molecular design diagrams to guide safer chemical design with reduced likelihood of perturbing the NRF2-ARE antioxidant pathway and inducing cytotoxicity

Author:

Shen Longzhu Q.123,Melnikov Fjodor123,Roethle John4523,Gudibanda Aditya6523,Judson Richard S.783,Zimmerman Julie B.12395,Anastas Paul T.12345

Affiliation:

1. School of Forestry and Environmental Studies

2. New Haven

3. USA

4. Department of Chemistry

5. Yale University

6. Department of Computer Science

7. U.S. EPA

8. National Center for Computational Toxicology

9. Department of Chemical and Environmental Engineering

Abstract

A probabilistic diagram presenting the complete solution in the variable space to guide safer chemical against NRF2-ARE pathway perturbation.

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Environmental Chemistry

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