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"Blinded Predictions and Post Hoc Analysis of the Second Solubility ..."
Jonathan G. M. Conn et al. (2023)
- Jonathan G. M. Conn, James W. Carter, Justin J. A. Conn, Vigneshwari Subramanian
, Andrew Baxter, Ola Engkvist
, Antonio Llinàs
, Ekaterina Ratkova, Stephen D. Pickett
, James L. McDonagh
, David S. Palmer
:
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. J. Chem. Inf. Model. 63(4): 1099-1113 (2023)
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