Hi everyone, Tomorrow Jennifer will talk at group meeting (starting at 3:30, not 2:30!). We'll continue at 3:30 from now on, and will soon get beers for the "Great Ideas" segment. Jennifer's abstract is below. Best, Ian ----------------- Speaker: Jennifer Wei Title: Predicting elementary organic chemistry reactions with fingerprints Abstract: As shown by several projects in our group, using fingerprinting methods with machine learning on molecules us to predict individual properties such as solubility, free energies, and PCE values. I will present a method for expanding this method to organic chemistry reactions. In this method, the fingerprints of the reactant molecules are used to predict the reaction type of the reaction in question. Once the reaction type is known, it is possible to make a preliminary guess of the structure of the products. This method can be extended for generating synthetic pathways for complicated molecules.