Converting SMILES to Stacking Interaction Energies (preprint)
Converting SMILES to Stacking Interaction Energies is a scholarly work, published in 2019 in ''ChemRxiv''. The main subjects of the publication include biological system, computer science, stereochemistry, chemistry, molecule, computational chemistry, quantum chemistry, Atom, chemical physics, materials informatics industry, drug design, rank, computation, noncovalent bonding, stacking, and density functional theory. <p>Predicting the strength of stacking interactions involving heterocycles is vital for several fields, including structure-based drug design.