MolMiner: You only look once for chemical structure recognition

Abstract

Molecular structures are always depicted as 2D printed form in scientific documents like journal papers and patents. However, these 2D depictions are not machinereadable. Due to a backlog of decades and an increasing amount of these printed literature, there is a high demand for the translation of printed depictions into machinereadable formats, which is known as Optical Chemical Structure Recognition (OCSR).Most OCSR systems developed over the last three decades follow a rule-based approach where the key step of vectorization of the depiction is based on the interpretation of vectors and nodes as bonds and atoms. Here, we present a practical software MolMiner,