TY  - RPRT
TI  - Navigating Large Chemical Spaces Using Graph Theory and Integer Programming
AU  - Ikegwu, Ugochukwu M. [University of Wisconsin─Madison, WI (United States)] (ORCID:0000000298068067)
AU  - Van Lehn, Reid C. [University of Wisconsin─Madison, WI (United States)] (ORCID:0000000348856599)
AU  - Zavala, Victor M. [University of Wisconsin─Madison, WI (United States)] (ORCID:0000000257447378)
PY  - 2026
DO  - 10.1021/acs.jcim.6c01810
UR  - https://www.osti.gov/biblio/3683986
ID  - 3683986
ER  -