Sodic soils adversely affect crop production over extensive areas of rain-fed cropping worldwide, with particularly large areas in Australia. Crop phenotyping may assist in identifying cultivars tolerant to soil sodicity. However, studies to identify the most appropriate traits and reliable tools to assist crop phenotyping on sodic soil are limited. Hence, this study evaluated the ability of multispectral, hyperspectral, 3D point cloud, and machine learning techniques to improve estimation of biomass and grain yield of wheat genotypes grown on a moderately sodic (MS) and highly sodic (HS) soil sites in northeastern Australia. While a number of studies have reported using different remote sensing approaches and crop traits to quantify crop growth, stress, and yield variation, studies are limited using the combination of these techniques including machine learning to improve estimation of genotypic biomass and yield, especially in constrained sodic soil environments. At close to flowering, unmanned aerial vehicle (UAV) and ground-based proximal sensing was used to obtain remote and/or proximal sensing data, while biomass yield and crop heights were also manually measured in the field. Grain yield was machine-harvested at maturity. UAV remote and/or proximal sensing-derived spectral vegetation indices (VIs), such as normalized difference vegetation index, optimized soil adjusted vegetation index, and enhanced vegetation index and crop height were closely corresponded to wheat genotypic biomass and grain yields. UAV multispectral VIs more closely associated with biomass and grain yields compared to proximal sensing data. The red-green-blue (RGB) 3D point cloud technique was effective in determining crop height, which was slightly better correlated with genotypic biomass and grain yield than ground-measured crop height data. These remote sensing-derived crop traits (VIs and crop height) and wheat biomass and grain yields were further simulated using machine learning algorithms (multitarget linear regression, support vector machine regression, Gaussian process regression, and artificial neural network) with different kernels to improve estimation of biomass and grain yield. The artificial neural network predicted biomass yield (R2 = 0.89; RMSE = 34.8 g/m2 for the MS and R2 = 0.82; RMSE = 26.4 g/m2 for the HS site) and grain yield (R2 = 0.88; RMSE = 11.8 g/m2 for the MS and R2 = 0.74; RMSE = 16.1 g/m2 for the HS site) with slightly less error than the others. Wheat genotypes Mitch, Corack, Mace, Trojan, Lancer, and Bremer were identified as more tolerant to sodic soil constraints than Emu Rock, Janz, Flanker, and Gladius. The study improves our ability to select appropriate traits and techniques in accurate estimation of wheat genotypic biomass and grain yields on sodic soils. This will also assist farmers in identifying cultivars tolerant to sodic soil constraints.