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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies

Fig. 4

Hydrogen bond distances (HBA–H)) in units of Å for the total acceptor (a) and donor (b) databases vs the quantum chemically derived target values. c, e Show the same plots for only the oxygen and nitrogen acceptors, whereas d, f show the same plots for only the oxygen and nitrogen donors. The Pearson correlation coefficient (r) is given. The coloring of the points is according to point density: The lighter the color, the higher the point density

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Journal of Cheminformatics

ISSN: 1758-2946

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