Fig. 3
From: FP-ADMET: a compendium of fingerprint-based ADMET prediction models
Comparison of the accuracies achieved by the fingerprint based models in this study (“Current”) with those created using standard molecular graph based descriptors (“Original”) published in the literature. For OATP inhibtion, descriptors consist of constitutional, geometrical, electrostatic, and physicochemical indices. For phototoxicity, descriptors contain HOMO-LUMO gaps, spectral integrals, ionization potential, electron affinity and CATS descriptors. For properties such as toxic myopathy and MATE1 inhibition, the values compared are the accuracies and AUCs respectively