Plaque erosion (PE) with secondary thrombosis is one of the key mechanisms of acute coronary syndrome (ACS) which often leads to drastic cardiovascular events. Identification and prediction of PE are of fundamental significance for disease diagnosis, prevention and treatment. In vivo optical coherence tomography (OCT) data of eight eroded plaques and eight non-eroded plaques were acquired to construct three-dimensional fluid-structure interaction models and obtain plaque biomechanical conditions for investigation. Plaque stenosis severity, plaque burden, plaque wall stress (PWS) and strain (PWSn), flow shear stress (FSS), and ΔFSS (FSS variation in time) were extracted for comparison and prediction. A logistic regression model was used to predict plaque erosion. Our results indicated that the combination of mean PWS and mean ΔFSS gave best prediction (AUC = 0.866, 90% confidence interval (0.717, 1.0)). The best single predictor was max ΔFSS (AUC = 0.819, 90% confidence interval (0.624, 1.0)). The average of maximum FSS values from eroded plaques was 76% higher than that from the non-eroded plaques (127.96 vs. 72.69 dyn/cm