Modeling Variance: A Variance-Motivated Approach to Molecular Prediction

In this variance-motivated study, the variance of a multi-thousand molecular dataset of Coulomb matrices is analyzed. This paper presents novel statistical methods and models that can aide in molecular prediction and analysis. A blended statistical/ML model is introduced for classifying data as Normal as well as a model for visualizing variance. Analysis is performed after a detailed literature review of molecular prediction and Normality of data assessment