Computational Framework for the Identification of Bioprivileged Molecules

ACS Sustainable Chemistry and Engineering

Volumn 7, Issue 2, 2019, Pages 2414-2428

  Zhou, Xiaowei ^a   Brentzel, Zachary J ^b   Kraus, George A ^c   Keeling, Peter L ^c   Dumesic, James A ^b   Shanks, Brent H ^c,d   Broadbelt, Linda J ^a  

^a Northwestern University   (United States)

^b Wisconsin Electric Machines and Power Electronics Consortium   (United States)

^c IOWA STATE UNIVERSITY   (United States)

^d Iowa State University   (United States)

Author keywords

Automated network generation; Biobased chemicals; Bioprivileged molecules; Computational molecule design; Reactivity

Indexed keywords

INDICATORS (CHEMICAL); REACTIVITY (NUCLEAR); SENSITIVITY ANALYSIS; THERMODYNAMICS;

BIOBASED CHEMICALS; CHEMICAL AND BIOLOGICALS; CHEMICAL ENVIRONMENT; CHEMICAL INTERMEDIATES; COMPUTATIONAL FRAMEWORK; GROUP CONTRIBUTION METHOD; NETWORK GENERATION; STRUCTURAL FEATURE;

MOLECULES;

EID: 85059661762     PISSN: None     EISSN: 21680485     Source Type: Journal    
DOI: 10.1021/acssuschemeng.8b05275     Document Type: Article

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