CEDe: Supplementary material Rodrigo Hormazabal

Was there a specific task in mind? Was there a specific gap that needed to be filled? AI-based materials design is a rapidly growing area of research in the field of Chemistry. However, experimental data is scarce, while the obtention and indexation of data still constitute a major bottleneck in the materials' discovery process. Researchers mainly access information by extracting data from scientific documents, such as papers and patents.[2] Molecular images have been, and currently are, the preferred format for publishing discoveries and detailing structural information about new compounds. More recently, machine learning-based approaches have been explored for the same task.[4] However, until now, even state-of-the-art models have struggled to perform on par with traditional approaches due to being sample-inefficient.