Decision tree?based identification of important molecular fragments for protein?ligand binding
Chemical Biology and Drug Design
DECEMBER 26, 2023
Identifying important molecular fragments through ECFP fingerprints for fragment encoding and decision tree algorithms for feature importance assessment. Abstract Fragment-based drug design is an emerging technology in pharmaceutical research and development. One of the key aspects of this technology is the identification and quantitative characterization of molecular fragments.
Let's personalize your content