fig7

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

Figure 7. The SHAP values of twenty ARD regression models on (A) M-dataset, (B) SAMPL 6 and SAMPL 9 and (C) The f(s, rij) of MorX-2 (X = U, RC, IP), MorRC-26 and MorE-9 and the function values of atoms with various distances in different chemical bonds. SHAP: Shapley Additive Explanations; ARD: automatic relevance determination.

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