Cytotoxicity evaluation. Artificial intelligence on ChEMBL DB.

drTarget applies machine learning models on ChEMBL DB to perform a virtual screening with 1.5M molecules, setting cytotoxicity score for 1.5M compounds.

About 120k compounds have been classified as potentially cytotoxic, and all their experimental records in ChEMBL database are analyzed and aggregated at different levels using interaction network graphs, leading to the identification of protein targets and pathways with scored cytotoxycity risks. 

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