QSAR and SPECTRAL-SAR in Computational Ecotoxicology

<p><strong>QSAR and SPECTRAL-SAR in Computational Ecotoxicology</strong> presents a collection of studies based on the epistemological bulk data-information-knowledge 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 effector-receptor binding degree potential including the logistic type by employing a computational algebraic quantitative structure-activity relationship (QSAR) model called SPECTRAL-SAR. It aims to minimize the residual recorded activities in the experiments that study the enzymic ionic liquid antagonists and allosteric inhibition interactions.</p><p></p><p>The book covers:</p><p></p><ul> <br><br><li>The classic QSAR approach</li> <br><br><li>The new SPECTRAL-SAR approach</li> <br><br><li>How to draw SPECTRAL-SAR maps for predicting ecotoxicological mechanisms for a given series of toxicants and single or multi-species in an open system</li> <br><br><li>Biological activity as related to chemical reactivity through associate descriptors</li> </ul><p></p><p>This 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.</p>