TY - RPRT TI - Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software AU - Zong, Xue AU - Lym, Jonathan AU - Vlachos, Dionisios G. PY - 2023 DO - 10.1016/j.cpc.2023.108754 UR - https://www.osti.gov/biblio/2418549 ID - 2418549 ER -