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QSAR and SPECTRALSAR in Computational Ecotoxicology,Used
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QSAR and SPECTRALSAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk datainformationknowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio, eco, and pharmacologic levels through unitary formulation of the effectorreceptor binding degree potential, including the logistic type by employing a computational algebraic quantitative structureactivity relationship (QSAR) model called SPECTRALSAR. It aims to minimize the residual recorded activities in the experiments that study the enzymic, ionic liquid, antagonists, and allosteric inhibition interactions.The book covers: The classic QSAR approach The new SPECTRALSAR approach How to draw SPECTRALSAR maps for predicting ecotoxicological mechanisms for a given series of toxicants and single or multispecies in an open system Biological activity as related to chemical reactivity through associate descriptorsThis book will be very useful in advanced courses on computational ecotoxicology, drug design and interaction, methods in quantum and computational chemistry, chemical molding, chemical bonding, and others.
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