Documentos de Amat L. | REDI

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Filtros aplicados

Área temáticas: "Farmacología y terapéutica"

Subtipo de publicación

Publisher

Accounts of Chemical Research(1)

Journal of Chemical Information and Computer Sciences(1)

Quantitative Structure-Activity Relationships(1)

SAR and QSAR in environmental research(1)

Área temáticas

Química física(3)

Química analítica(2)

Química orgánica(2)

Área de conocimiento

Relación cuantitativa estructura-actividad(4)

Farmacología(1)

Toxicología(1)

Año de Publicación

Origen

Palabras Claves

Atomic shell approximation(1)

Atomic shell approximation (ASA)(1)

Camptothecin analogues(1)

Carbó index(1)

Classical scaling analysis(1)

Molecular quantum similarity and the fundamentals of QSAR

Abstract: A general overview on quantum similarity and applications to QSAR is presented. The concepts regardi

Palabras claves:

Amat L., Besalu E., Gironés X., Ramón Carbö-D̈orca

Molecular quantum similarity measures tuned 3D QSAR: An antitumoral family validation study

Abstract: In this work, a new methodology to construct a tuned QSAR model is presented, which is based on a co

Palabras claves:

Atomic shell approximation, Camptothecin analogues, Carbó index, Classical scaling analysis, Convex sets, DNA topoisomerase-I, Molecular quantum similarity measures, Promolecular densities, Similarity matrices, Tuned 3D QSAR

Amat L., Besalu E., Ramón Carbö-D̈orca, Robert D.

Using molecular quantum similarity measures as descriptors in quantitative structure-toxicity relationships.

Abstract: In this paper molecular quantum similarity measures (MQSM) are used to describe molecular toxicity a

Palabras claves:

Amat L., Gironés X., Ramón Carbö-D̈orca

Structure-activity relationships of a steroid family using quantum similarity measures and topological quantum similarity indices

Abstract: This work will try to study an application example of quantum similarity measures, in order to deter

Palabras claves:

Atomic shell approximation (ASA), Corticosteroid binding globulin (CBG), Molecular quantum similarity indices (MQSI), Molecular quantum similarity measures (MQSM), Multilinear regression (MLR), principal component analysis (PCA), Quantitative structure-activity relationships (QSAR), Topological matrix (TM), Topological quantum similarity indices (TQSI)

Amat L., Besalu E., Lobato M., Ramón Carbö-D̈orca