Benford's Law and distributions for better drug design.

Journal: Expert opinion on drug discovery
Published Date:

Abstract

INTRODUCTION: Modern drug discovery incorporates various tools and data, heralding the beginning of the data-driven drug design (DD) era. The distributions of chemical and physical data used for Artificial Intelligence (AI)/Machine Learning (ML) and to drive DD have thus become highly important to be understood and used effectively.

Authors

  • Alfonso T GarcĂ­a-Sosa
    Institute of Chemistry, University of Tartu, Ravila 14a, 54011 Tartu, Estonia.