Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application.
Yovani Marrero-PonceOscar Martínez SantiagoYoan Martínez LópezStephen J. BarigyeFrancisco TorrensPublished in: J. Comput. Aided Mol. Des. (2012)