Abstract: A method and system for predicting spatial and temporal distributions of therapeutic substance carriers within a body of a user, comprising: at a computing system, receiving an image dataset and a spectra dataset of a therapeutic substance carrier generated from at least one of an imaging model and a spectra-generating module; transforming the image dataset and the spectra dataset into a set of characteristics, wherein the set of characteristics comprises electrotopological characteristics and geometrical characteristics; generating a set of pharmacokinetic parameters and a set of pharmacodynamic parameters for the therapeutic substance carrier based upon the set of characteristics and a transformation model; and transforming the set of pharmacokinetic parameters and the set of pharmacodynamic parameters into a spatial distribution and a temporal profile of the therapeutic substance carrier, based upon a predictive model incorporating physiological parameters of the body, thereby predicting distributions of t