Institute of Crystallography - CNR

AMALPHI

Amalphi allows you to use an artificial intelligence model developed to predict which drug candidates may cause drug-induced phospholipidosis (PLD), a condition where phospholipids accumulate in cells due to prolonged exposure to certain types of drugs. This condition is often associated with cationic amphiphilic drugs (CAD). PLD is a significant concern in drug development and has posed challenges in antiviral research for the SARS-CoV-2 virus. The artificial intelligence model was trained on a dataset containing 545 carefully selected molecules from ChEMBL v30. The best model, created using the Balanced Random Forest algorithm, achieved excellent results, with an AUC (Area Under the Curve) value of 0.90 in the validation phase. This model helps identify safe drug candidates in advance and distinguishes them from those that may produce false in vitro results in antiviral research.