OnionNet: a multiple-layer inter-molecular contact based convolutional neural network for protein-ligand binding affinity prediction

2 code implementations • 6 Jun 2019 • Liangzhen Zheng, Jingrong Fan, Yuguang Mu

When compared to a previous CNN-based scoring function, our model shows improvements of 0. 08 and 0. 16 in the correlations (R) and standard deviations (SD) of regression, respectively, between the predicted binding affinities and the experimental measured binding affinities.

Biological Physics Computational Physics Biomolecules