Predicting the target landscape of kinase inhibitors using 3d convolutional neural networks

SUMMARY

[29] These methods screen (large) libraries of small_molecules for novel and diverse bioactive compounds. [32-35] Widely applied machine_learning algorithms include random forests, support vector machines (SVM), and neural_networks. [42-45] Neural networks have a long history in predicting binding affinity of small_molecules with ever increasing popularity in drug discovery efforts. [53] More recently, convolutional neural_networks (CNN) have also been applied to predict the binding affinity of small_molecules, learn molecular fingerprints, PLOS Computational Biology | https://doi.org/10.1371/journal.pcbi. September 5, 2023 Kinase inhibitor target prediction using 3D CNNs detect chemical motifs, and predict properties . . .

 



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