[Dedicated to Prof. T. Okada and Prof. T. Nishioka: data science in chemistry]Artificial Intelligence, Knowledge Discovery and Data Mining Thirty Years of Experience in Cheminformatics

Abstract

Data mining played a crucial role from the early stage of cheminformatics research. This review traces its historical development referencing various author’s studies. They include works such as conceptual clustering, discrimination net, and graph mining. Examples of SAR studies are shown using the cascade model and Bayesian net. Some issues remaining for future studies are also discussed.