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Using Molecular Embeddings in QSAR Modeling: Does it Make a Difference?
v1v2 (latest)

Using Molecular Embeddings in QSAR Modeling: Does it Make a Difference?

20 March 2021
María Virginia Sabando
I. Ponzoni
E. Milios
Axel J. Soto
ArXiv (abs)PDFHTMLGithub

Papers citing "Using Molecular Embeddings in QSAR Modeling: Does it Make a Difference?"

2 / 2 papers shown
Machine Guided Discovery of Novel Carbon Capture Solvents
Machine Guided Discovery of Novel Carbon Capture Solvents
James L. McDonagh
Benjamin H. Wunsch
Stamatia Zavitsanou
Alexander Harrison
Bruce Elmegreen
S. Gifford
T. Kessel
F. Cipcigan
76
4
0
24 Mar 2023
Exploring QSAR Models for Activity-Cliff Prediction
Exploring QSAR Models for Activity-Cliff PredictionJournal of Cheminformatics (J Cheminform), 2023
Markus Dablander
Thierry Hanser
R. Lambiotte
Garrett M. Morris
266
42
0
31 Jan 2023
1
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