Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry Literature

Reaction classification has often been considered an important task for many different applications, and has traditionally been accomplished using hand-coded rule-based approaches. However, the availability of large collections of reactions enables data-driven approaches to be developed. We present...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of chemical information and modeling 2019-10, Vol.59 (10), p.4167-4187
Hauptverfasser:	Ghiandoni, Gian Marco, Bodkin, Michael J, Chen, Beining, Hristozov, Dimitar, Wallace, James E. A, Webster, James, Gillet, Valerie J
Format:	Artikel
Sprache:	eng
Schlagworte:	Classification Fingerprinting Machine learning Organic chemistry Pharmaceutical sciences
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!