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scopus(3)
Molecular quantum similarity measures as an alternative to log P values in QSAR studies
ArticleAbstract: A new molecular descriptor of hydrophobicity based on molecular quantum similarity measures (MQSM),Palabras claves:1-octanol/water partition coefficient, Atomic shell approximation, Molecular quantum similarity measures, Promolecular densities, QSARAutores:Amat L., Ponec R., Ramón Carbö-D̈orcaFuentes:scopusSimilarity approach to QSAR: Application to antimycobacterial benzoxazines
ArticleAbstract: The antimycobacterial activity in six series of substituted 3-phenyl-2H-benzoxazine-2,4(3H)-dithionePalabras claves:Benzoxazine, Mycobacterium, Quantum molecular similarity, Theoretical QSAR models, TuberculostaticsAutores:Gallegos A., Ponec R., Ramón Carbö-D̈orca, Waisser K.Fuentes:scopusSimple linear QSAR models based on quantum similarity measures
ArticleAbstract: A novel QSAR approach based on quantum similarity measures was developed and tested in this paper. TPalabras claves:Autores:Amat L., Ponec R., Ramón Carbö-D̈orcaFuentes:scopus