© 2014 Pleiades Publishing, Ltd. This paper reports a predictive model for the rate constant of the bimolecular nucleophilic substitution involving the azide moiety. It predicts reaction rate constants in different solvents, ...

Here, we report an application of the multi-instance learning approach to predictive modeling of enantioselectivity of chiral catalysts. Catalysts were represented by ensembles of conformations encoded bythe pmapper ...

© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim3-Benzylmenadiones are potent antimalarial agents that are thought to act through their 3-benzoylmenadione metabolites as redox cyclers of two essential targets: the ...