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PMechDB overview


Agricultural chemistry / crop protection

The polar mechanism is the most common mechanism in organic and organometallic chemistry. These reactions result from the heterolytic cleavage of bonds and the formation of charged intermediates. Due to the high reactivity of the polar reactants, many of these types of reactions can occur at standard and physiological conditions. Therefore, polar reactions are frequently studied and used in organic, inorganic, organometallic, biological and environmental chemistry. Polar reactions are crucial to many of the most important biological processes, such as the synthesis of peptide bonds which form the backbone of proteins, and they are invaluable to the drug design process. Hence, polar organic reactions are of great importance and their mechanisms and outcomes are worthy of investigation

PMechDB is a live platform for aggregating, curating, and distributing chemcial reactions in the form of elementary polar steps to accelerate research in chemoinformatics and polar 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.


How to use PMechDB