In this study, 38 organic compounds were used as lubricants in the GCr15 steel/polyimide (PI) friction system to systematically compare the influence mechanism of lubricant molecular structures on the friction performance of the system. Quantitative structure tribo-ability relationship (QSTR) models linking structural descriptors with coefficients of friction were established using random forest (RF) and extreme gradient boosting (XGBoost) algorithms, respectively. Based on comparisons of performance metrics such as fitting degree and generalization ability, the QSTR model developed by the RF ...
