Converting SMILES to Stacking Interaction Energies
Converting SMILES to Stacking Interaction Energies is a scholarly work by Andrea N Bootsma and Steven E Wheeler, published in 2019 in ''Journal of Chemical Information and Modeling''. The main subjects of the publication include computer science, international business, stacking, and chemistry. Predicting the strength of stacking interactions involving heterocycles is vital for several fields, including structure-based drug design.