Remotely estimating leaf phosphorus concentration (LPC) is crucial for fertilization management, crop growth monitoring, and the development of precision agricultural strategy. This study aimed to explore the best prediction model for the LPC of rice (Oryza sativa L.) using machine learning algorithms fed with full-band (OR), spectral indices (SIs), and wavelet features. To obtain the LPC and leaf spectra reflectance, the pot experiments with four phosphorus (P) treatments and two rice cultivars were carried out in a greenhouse in 2020-2021. The results indicated that P deficiency increased leaf reflectance in the visible region (350-750 nm) and decreased the reflectance in the near-infrared (NIR, 750-1350 nm) regions compared to the P-sufficient treatment. Difference spectral index (DSI) composed of 1080 nm and 1070 nm showed the best performance for LPC estimation in calibration (R2= 0.54) and validation (R2= 0.55). To filter and denoise spectral data effectively, continuous wavelet transform (CWT) of the original spectrum was used to improve the accuracy of prediction. The model based on Mexican Hat (Mexh) wavelet function (1680 nm, Scale 6) demonstrated the best performance with the calibration R2of 0.58, validation R2of 0.56 and RMSE of 0.61 mg g−1. In machine learning, random forest (RF) had the best model accuracy in OR, SIs, CWT, and SIs + CWT compared with other four algorithms. The SIs and CWT coupling with the RF algorithm had the best results of model validation, the R2was 0.73 and the RMSE was 0.50 mg g−1, followed by CWT (R2= 0.71, RMSE = 0.51 mg g−1), OR (R2= 0.66, RMSE = 0.60 mg g−1), and SIs (R2= 0.57, RMSE = 0.64 mg g−1). Compared with the best performing SIs based on the linear regression models, the RF algorithm combining SIs and CWT improved the prediction of LPC with R2increased by 32%. Our results provide a valuable reference for spectral monitoring of rice LPC under different soil P-supplying levels in a large scale.