fig3

A new simple and efficient molecular descriptor for the fast and accurate prediction of log P

Figure 3. The RMSEs and feature dimensions of models using descriptors selected with various thresholds. (A) The RMSEs of models fitted with various algorithms. The optimal threshold was around 0.001 and 0.05; (B) The feature dimension decreased rapidly with the increased threshold. RMSEs: Root mean square errors.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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