Before revision:   . Perturbations are trained on a suitable set of systems for which the native structure is known . A convolutional window is used to include neighboring reactivities in the SHAPE nodes of the network, and regularization terms limit overfitting improving transferability.
After revision:  . Perturbations are trained on a suitable set of systems for which the native structure is known . A convolutional window is used to include neighboring reactivities in the SHAPE nodes of the network, a convolutional window combines neighboring reactivities, enlightening their structural information content and the contribution of local conformational ensembles. Regularization is used to limit overfitting and improve transferability.