Data for "Blinded Predictions and Post-hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models"

Jonathan G. M. Conn (Creator)
James W. Carter (Creator)
Justin J. A. Conn (Creator)
Vigneshwari Subramanian (Creator)
Andrew Baxter (Creator)
Ola Engkvist (Creator)
Antonio Llinas (Creator)
Ekaterina L. Ratkova (Creator)
Stephen D. Pickett (Creator)
James L McDonagh (Creator)
David Palmer (Creator)

Pure And Applied Chemistry

Dataset

1 Article

1 results

Filter

2023
Blinded predictions and post-hoc analysis of the second solubility challenge data: exploring training data and feature set selection for machine and deep learning models
Conn, J. G. M., Carter, J. W., Conn, J. J. A., Subramanian, V., Baxter, A., Engkvist, O., Llinas, A., Ratkova, E. L., Pickett, S. D., McDonagh, J. L. & Palmer, D. S., 27 Feb 2023, In: Journal of Chemical Information and Modeling . 63, 4, p. 1099-1113 15 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
23 Link opens in a new tab Citations (Scopus)

36 Downloads (Pure)