Exploration of Novel Eco-friendly Cu-inhibitors Using Materials Informatics （MI）

Abstract

In recent years, due to growing concerns about environmental and health risks, there has been a movement, particularly in Europe, to tighten regulations on compounds currently used in corrosion inhibitors. To address this challenge, we aimed to develop copper corrosion inhibitors with lower environmental impact. To accelerate the discovery of alternatives, we developed a Materials Informatics （MI） technology based on our company's accumulated knowledge, and constructed an MI model specifically for copper corrosion inhibitors. This MI model was then applied to an external molecular structure database to identify potential candidates with reduced environmental hazards. Our approach successfully highlighted several promising compounds, demonstrating the potential of MI in facilitating sustainable material development.