This article is cited in 6 papers

Communications

An efficient method of searching for correlations between unlimited datasets to provide forecasting models

A. Yu. Tolbin

Institute of Physiologically Active Compounds, Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences, Chernogolovka, Moscow Region, Russian Federation

Abstract: This work presents a highly powerful and very simple statistical method for creating predictive models based on structure–property relationships. The algorithm was implemented in the software CORRELATO, which demo version is presented in Online Supplementary Materials. This algorithm was tested on a small series of phthalocyanine dyes to search for the relationship between optical limiting effect and quantum chemical descriptors responsible for the nonlinear optical properties of these absorbers

Keywords: correlations, phthalocyanine, J-dimers, optical limiting, forecasting models.

Language: English

DOI: 10.1016/j.mencom.2023.04.038

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