Is fragment-based graph a better graph-based molecular representation for drug design? A comparison study of graph-based models

Baiyu Chen, Ziqi Pan, Minjie Mou, Yuan Zhou, Wei Fu. Is fragment-based graph a better graph-based molecular representation for drug design? A comparison study of graph-based models. Comp. in Bio. and Med., 169:107811, February 2024. [doi]

Abstract

Abstract is missing.