An Improved Receptor-Based Pharmacophore Generation Algorithm Guided by Atomic Chemical Characteristics and Hybridization Types

• Main Authors: Gaoqi He (Author), Bojie Gong (Author), Jianqiang Li (Author), Yiping Song (Author), Shiliang Li (Author), Xingjian Lu (Author)
• Format: Book
• Published: Frontiers Media S.A., 2018-12-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Pharmacophore-based virtual screening is an important and leading compound discovery method. However, current pharmacophore generation algorithms suffer from difficulties, such as ligand-dependent computation and massive extractive chemical features. On the basis of the features extracted by the fiv...