@misc{indiciae74ad88ab2a51, title = {Navigating Large Chemical Spaces Using Graph Theory and Integer Programming}, author = {Ikegwu, Ugochukwu M. [University of Wisconsin─Madison, WI (United States)] (ORCID:0000000298068067) and Van Lehn, Reid C. [University of Wisconsin─Madison, WI (United States)] (ORCID:0000000348856599) and Zavala, Victor M. [University of Wisconsin─Madison, WI (United States)] (ORCID:0000000257447378)}, year = {2026}, doi = {10.1021/acs.jcim.6c01810}, url = {https://www.osti.gov/biblio/3683986}, note = {Source identifier: 3683986} }