Aproximaciones a los estudios cuantitativos de la relación estructura – actividad y estructura – propiedad
DOI:
https://doi.org/10.17533/udea.vitae.756Abstract
Se plantea las conexiones entre estructura de los compuestos químicos y propiedad o actividad, desde la perspectiva de tres diferentes aproximaciones. La aproximación empirista, que es básicamente cualitativa y que se ha aplicado con frecuencia en disciplinas como la farmacología y la bioquímica. En la aproximación mecanística, tanto las estructuras como las propiedades y actividades. Se consideran como variables cuantitativas; en este caso los métodos deducen ecuaciones predictivas para las propiedades-actividad a partir de cambios estructurales. La tercera aproximación se conoce como método de la conectividad molecular, que considera las estructuras desde la perspectiva matemática, con base en conceptos de la topología y la teoría de GRAFOS. En este caso también se establecen ecuaciones predicativas para abordar las consecuencias de los cambios estructurales, en términos de las propiedades o actividades.Downloads
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