Discrete Derivatives for Atom-Pairs as a Novel Graph-Theoretical Invariant for Generating New Molecular Descriptors: Orthogonality, Interpretation and QSARs/QSPRs on Benchmark Databases

✍ Scribed by Martínez-Santiago, Oscar; Millán-Cabrera, Reisel; Marrero-Ponce, Yovani; Barigye, Stephen J.; Martínez-López, Yoan; Torrens, Francisco; Pérez-Giménez, Facundo

• Book ID: 123619270
• Publisher: Wiley (John Wiley & Sons)
• Year: 2014
• Tongue: English
• Weight: 614 KB
• Volume: 33
• Category: Article
• ISSN: 1868-1743
• DOI: 10.1002/minf.201300173