A machine learning and network framework to discover new indications for small molecules
Fig 2
CATNIP model accurately predicts drugs that share an indication and can be used for repurposing.
A) Receiver-operating characteristic curve for CATNIP, the performance for drug pairs with high and low structural similarity is also shown. B) A network of all drug pairs with a CATNIP score higher than 7.4. Nodes (drugs) are colored based on ATC classification and a specific example of repurposing between ATC classifications is highlighted. C) A graph of all ATC classification and the median CATNIP score between the drugs belonging to each of them (only including drug pairs with > 7.4 CATNIP score). The edges between ATC Classifications with the highest median CATNIP scores are colored red.