DeepRXN Documentation PMechDB Article Contact Us

PMechDB: Polar Mechanistic Reaction DataBase

PMechDB is a live platform for aggregating, curating, and distributing chemcial reactions in the form of elementary radical steps to accelerate research in chemoinformatics and radical reaction modeling. The PMechDB platform is designed to facilitate training deep learning and other AI models in data-driven workflows using its tabular data, with no need for additional pre-processing steps It provides a unified model that ought to facilitate data sharing, model building, dissemination, and publications. We encourage the community to explore and use the PMechDB data and functionalities, and contribute to its expansion.

You can download the PMechDB data set with proper annotations and meta data.

download interface

You can upload new elementary polar steps to expand the PMechDB data set.

upload interface

Updates and announcements