CUPID

Set of rules for Cardiotoxicity prediction

Model ERG	Model Na_v	Model Ca_v
The model was developed using a TS of 10035 chemicals and their relative IC₅₀ values Balanced TS with 5042 cardiotoxic and 4993 safe chemicals Only 2D structural information based on the CSFP fingerprint Only organic molecules	The model was developed using a TS of 1436 chemicals and their relative IC₅₀ values Balanced TS with 679 cardiotoxic and 757 safe chemicals Only 2D structural information based on the CSFP fingerprint Only organic molecules	The model was developed using a TS of 734 chemicals and their relative IC₅₀ values Balanced training set with 405 cardiotoxic and 329 safe chemicals Only 2D structural information based on the CSFP fingerprint Only organic molecules
List of chemicals	List of chemicals	List of chemicals