A Scaffold‐based Deep Generative Model Considering Molecular Stereochemical Information

Designing molecules with specific scaffolds can facilitate the discovery and optimization of lead compounds. Some scaffold‐based molecular generation models have been developed using deep‐learning methods based on specific scaffolds, although incorporating scaffold generalization is expected to achi...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Molecular informatics 2022-12, Vol.41 (12), p.e2200088-n/a
Hauptverfasser: Xu, Tianxu, Wang, Minjun, Liu, Xiaoqian, Feng, Dawei, Zhu, Yanjuan, Fan, Zhe, Rao, Shurong, Lu, Jing
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!