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"Blinded Predictions and Post Hoc Analysis of the Second Solubility ..."

Jonathan G. M. Conn et al. (2023)

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DOI: 10.1021/ACS.JCIM.2C01189

access: open

type: Journal Article

metadata version: 2023-05-13

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  - journals/jcisd/ConnCCSBELRPMP23
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  - https://dblp.org/rec/journals/jcisd/ConnCCSBELRPMP23
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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