Predicting the remaining useful life (RUL) of lithium-ion (Li-ion) batteries is crucial to preventing system failures and enhancing operational performance. Knowing the RUL of a battery enables one to perform preventative maintenance or replace the battery before its useful life expires, which is vital in safety-critical applications. The prediction of the RUL of Li-ion batteries plays a critical role in their optimal utilization throughout their lifetime and supporting sustainable practices. This paper conducts a comparative analysis to assess the effectiveness of multiple machine learning (ML) models in predicting the capacity fade and RUL of Li-ion batteries. Three case studies are analyzed to assess the performances of the state-of-the-art ML models, considering two distinct datasets. These case studies are conducted under various operating conditions such as temperature, C-rate, state of charge (SOC), and depth of discharge (DOD) of the batteries in Cases 1 and 2, and a different set of features and charging policies for the second dataset in Case 3. Meanwhile, diverse extracted features from the initial cycles of the second dataset are considered in Case 3 to predict the RUL of Li-ion batteries in all cycles. In addition, a multi-feature multi-target (MFMT) feature mapping is introduced to investigate the performance of the developed ML models in predicting the battery capacity fade and RUL in the entire life cycle. Multiple ML models that are developed for the comparison analysis in the proposed methodology include Random Forest (RF), extreme gradient boosting (XGBoost), light gradient-boosting machine (LightGBM), multi-layer perceptron (MLP), long short-term memory (LSTM), and attention-LSTM. Furthermore, hyperparameter tuning is applied to improve the performance of the XGBoost and LightGBM models. The results demonstrate that the extreme gradient boosting with hyperparameter tuning (XGBoost-HT) model outperforms the other ML models in terms of the root-mean-squared error (RMSE) and mean absolute percentage error (MAPE) of the battery capacity fade and RUL for all cycles. The obtained RMSE and MAPE values for XGBoost-HT in terms of cycle life are 69 cycles and 6.5%, respectively, for the third case. In addition, the XGBoost-HT model handles the MFMT feature mapping within an acceptable range of RMSE and MAPE, compared to the rest of the developed ML models and similar benchmarks.