# Application of GBAmax to the prediction of the DrugBank category Penicillins
# using the Tanimoto chemical structure similarity network
# between 1253 DrugBank drugs
library(bionetdata);
data(DD.chem.data);
data(DrugBank.Cat);
labels <- DrugBank.Cat[,"Penicillins"];
ind.pos <- which(labels==1);
GBAmax(DD.chem.data, ind.pos);
# Application of GBAmax to the prediction of the DrugBank category "Anti_HIV_Agents"
labels <- DrugBank.Cat[,"Anti_HIV_Agents"];
ind.pos <- which(labels==1);
GBAmax(DD.chem.data, ind.pos);
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