Fig. 1
From: Learning protein-ligand binding affinity with atomic environment vectors
AEV constructed using ACSFs [27, 28] (with \(R_s = 0\) and \(\{\theta _s\} = \{0,\pi \}\) for angular symmetry functions) for an atom in a system composed only of the elements H, C and O. The radial and angular symmetry functions, \(G_{\alpha ,m}^R\) and \(G_{\alpha ,\beta ,m}^A\), respectively, are given for the elements \(\alpha\) and \(\beta\), and iterate over the parameters m. Loosely adapted from Gao et al. [34]