EXTENDED ABSTRACT: InFor the last 20 years, many big-data web services in the world have been developed to provide research data to chemists and materials scientists, in order to understand target properties of small compounds and materials based on a data-driven approach. Since such big-data has been dispersed over the world, integration of research data that can be extracted from multiple databases is required for advanced data-driven chemistry and materials science.ChemDX(Chemical Data eXplorer), web-based chemistry-related platform, integrated four important subjects into one place as a gateway, for data-driven approach in this field: (1) MatDX that can search and utilize material data, (2) ChemAI, an AI platform specialized in materials field, (3) KCB, chemicals data platform for drug development, and (4) OpenMRA that can predict the toxicity of chemical mixtures.MatDX(Materials Data eXplorer), has been developed as a user-friendly web-based interface, in the concept of a data warehouse solution which can be a useful strategy for connecting multiple databases. A user-friendly search interface based on displaying material tags in MatDX lets users explore materials information quickly and easily, and reach detailed information about composition, structure, properties for interesting materials. Further process of ‘Analysis’ functionality to visualize statistically meaningful relationships has been served in interactive web display. The most important aim of these services is clearly to enable researchers to discover new candidates for targeted properties based on numerous research data in chemistry and materials science. All the related platforms for multiple applications can be found and accessed by https://chemdx.org.
Keywords: materials informatics; big data; data warehouse; ontology