A dataset for examining the interaction between 54 drugs and 26 neural receptors. It consists of three different matrices.
drugTargetInteractionfor drugTargetInteraction: a numeric matrix of 26 rows by 54 columns.
For drugSim: a numeric square matrix with 54 rows/columns.
For targetSim: a numeric square matrix with 26 rows/columns.
The dataset consists of the following objects :
drugTargetInteraction: a matrix indicating whether or not a certain drug compound interacts with a certain neural receptor.
targetSim: a similarity matrix for the neural receptors.
drugSim: a similarity matrix for the drugs
The data originates from Yamanishi et al (2008) but was partly reworked to be suitable for two-step kernel ridge regression. This is explained in detail in the Preparation of the example data vignette.
Yamanishi et al, 2008 : Prediction of drug-target interaction networks from the integration of chemical and genomic spaces.