Discrete derivatives for atom-pairs as a novel graph-theoretical invariant for generating new molecular descriptors: Orthogonality, interpretation and QSARs/QSPRs on benchmark databases

1. Martínez-Santiago, O.
2. Millán-Cabrera, R.
3. Marrero-Ponce, Y.
4. Barigye, S.J.
5. Martínez-Lõpez, Y.
6. Torrens, F.
7. Pérez-Giménez, F.