KinomeMETA is a virtual kinase chemogenomics model for predicting kinome-wide polypharmacology effect of small molecules based on their chemical structures. KinomeMETA utilizes a modified meta-learning strategy integrated with a graph neural network (GNN), leveraging a large-scale dataset of kinase inhibitor data for 661 kinases.
tunequ/KinomeMeta
KinomeMETA is a virtual kinase chemogenomics model for predicting kinome-wide polypharmacology effect of small molecules based on their chemical structures. KinomeMETA utilizes a modified meta-learning strategy integrated with a graph neural network (GNN), leveraging a large-scale dataset of kinase inhibitor data for 661 kinases.
Python