In current research on the synthesis of colloidal nanostructures, the size and morphology of nanoparticles still exhibit certain dispersion and variation from batch to batch. Characterization of size distribution and morphology distribution of nanoparticles often requires techniques such as scanning electron microscopy or transmission electron microscopy, which involve high vacuum environments, are time-consuming, and costly. Experienced researchers can roughly estimate the size and distribution of nanostructure from spectra for a given synthetic route, but the accuracy is often limited. This paper reports the potential of using neural networks to accurately predict the composition of colloidal nanostructures from spectra. We address several fundamental issues in neural network prediction of colloidal composition. We first demonstrate the prediction of the composition of