Discrete derivatives for atom-pairs as a novel graph-theoretical invariant for generating new molecular descriptors: Orthogonality, interpretation and QSARs/QSPRs on benchmark databases
- Martínez-Santiago, O.
- Millán-Cabrera, R.
- Marrero-Ponce, Y.
- Barigye, S.J.
- Martínez-Lõpez, Y.
- Torrens, F.
- Pérez-Giménez, F.
ISSN: 1868-1751, 1868-1743
Datum der Publikation: 2014
Ausgabe: 33
Nummer: 5
Seiten: 343-368
Art: Artikel