Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches

Hematotoxicity has been becoming a serious but overlooked toxicity in drug discovery. However, only a few in silico models have been reported for the prediction of hematotoxicity. In this study, we constructed a high-quality dataset comprising 759 hematotoxic compounds and 1623 nonhematotoxic compou...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of chemical information and modeling 2023-01, Vol.63 (1), p.111-125
Hauptverfasser:	Long, Teng-Zhi, Shi, Shao-Hua, Liu, Shao, Lu, Ai-Ping, Liu, Zhao-Qian, Li, Min, Hou, Ting-Jun, Cao, Dong-Sheng
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Chemical Information Computer Simulation Deep Learning Drug Discovery Machine Learning Prediction models Structural analysis Toxicity
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!