… To that end, we propose Groupwise Scoring Function (GSF) as an instance of the class of
multivariate functions that is parameterized by deep neural networks. A GSF learns to score a …

… deep machine learning techniques for protein–ligand scoring. We describe convolutional
neural network (CNN) scoring functions … scoring function automatically learns the key features …

… , generating a new scoring function model based on 3D convolutional neural network. … Our
scoring function model achieved a root mean squared error (RMSE) of 1.3263 and 1.4518 on …

… deep learning networks. DeepVS used convolutional neural networks to obtain composite
features of … (35) By comparing the network differences between Deep Scoring and these two …

… scoring (AES) is the task of automatically assigning scores to essays as an alternative to
grading … typically rely on manually designed features, deep neural network (DNN)-based AES …

… will still express a single perceptive score function (the weight)… Convolutional Neural Networks,
explaining the layers required to build one and detailing how best to structure the network …

… Convolutional neural network (CNN) scoring functions in particular have shown promise in
… In the next sections, we describe multiple methods for projecting the neural network score …

… We assess the ability of our convolutional neural network (CNN)-based scoring functions
to perform several common tasks in the domain of drug discovery. These include correctly …

… to arbitrary scoring functions, ie., non-linear and nonconvex functions. This allows us to
derive a new training algorithm for deep neural networks which directly minimizes the task loss. …

… of K DEEP makes it already an attractive scoring function for … scoring tasks, we hereby
propose an end-to-end framework, named K DEEP , based on 3D-convolutional neural networks …