Documentos de Robert D. | REDI

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Filtros aplicados

Año de Publicación: "1999"

Subtipo de publicación

Publisher

Journal of Chemical Information and Computer Sciences(1)

Journal of Computer-Aided Molecular Design(1)

Área temáticas

Métodos informáticos especiales(1)

Química física(1)

Química inorgánica(1)

Área de conocimiento

Biología molecular(1)

Mecánica cuántica(1)

Relación cuantitativa estructura-actividad(1)

Simulación por computadora(1)

Origen

Palabras Claves

Atomic Shell Approximation (ASA) density functions(1)

Carbó index(1)

Classical scaling(1)

Cramer steroids(1)

Facet theory(1)

Facet diagrams for quantum similarity data

Abstract: The objective of this work is to demonstrate that an appropriate treatment of quantum similarity mat

Palabras claves:

Atomic Shell Approximation (ASA) density functions, Carbó index, Classical scaling, Cramer steroids, Facet theory, Quantitative structure-activity relationships (QSAR), Quantum Similarity, Toxicity

Gironés X., Ramón Carbö-D̈orca, Robert D.

Three-dimensional quantitative structure - Activity relationships from tuned molecular quantum similarity measures: Pbkp_rediction of the corticosteroid-binding globulin binding affinity for a steroid family

Abstract: Pbkp_redictive models based on tuned molecular quantum similarity measures and their application to

Palabras claves:

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