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Machine Learning Models for Predicting Kinase Inhibitors with Different Binding Modes

Miljković, Filip; Rodríguez-Pérez, Raquel; Bajorath, Jürgen

Random forest (RF), support-vector machine (SVM), and deep neural network (DNN) models for predicting kinase inhibitors with different binding modes in X-ray structures are made available together with the data sets used for training and testing.

Please refer to READ_ME.txt for more information.

Files (386.5 MB)
Name Size
cid_kinases.dat
md5:ffbe74c3fc8213349ab213dd389f675e
147.8 kB Download
cid_kinases_READ_ME.txt
md5:2f931f3ae935d00efabddf7dbe2f6e40
557 Bytes Download
ML_Kinases.zip
md5:981d640862e7c5bb485e30ecfd8fff8d
386.4 MB Download
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