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Statistical Modelling of Molecular Descriptors in QSAR/QSPR

employing data analysis and machine learning techniques for QSARQSPR. The high-profile international author and editor team ensures excellent;

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Qspr/Qsar Studies By Molecular Descriptors

The central problem in QSPR (Quantitative Structure-Property Relationship) I QSAR (Quantitative Structure-Activity Relationship) is to;

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QSAR and Molecular Modeling Studies in Heterocyclic Drugs I

P.R. Duchowicz, E.A. Castro, A.A. Toropov, E. Benfenati: Applications of Flexible Molecular Descriptors in the QSPR-QSAR Study;

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Chemometrics Applications and Research: Qsar in Medicinal Chemistry

development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power;

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Chemometrics Applications and Research

QSARQSPR/QSTR models * Reviews the use of chemometrics in PPAR research highlighting its substantial contribution in identifying;

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Drug Design Strategies

covers theory and application of 2D cheminformatics, QSARQSPR, ADME properties of drugs, drug docking/scoring protocols and approaches;

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In Silico Medicinal Chemistry

classes of molecular descriptors. The third part provides a guide to statistical learning methods using chemical structure data, covering topics;

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Physicochemical Treatment of Hazardous Wastes

Structure and Activity Relationship (QSAR) between kinetic rate constants and molecular descriptors. The author explores how to use these models to;

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Reviews in Computational Chemistry, Volume 2

, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described;

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Quantitative Structure - Activity Relationship

mathematical function and x1, ..., xn are n molecular descriptors. Since the introduction of the initial concept of QSAR in the early 1960s, numerous;

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QSAR and Molecular Modeling Studies in Heterocyclic Drugs I

Qsar and Molecular Modeling Studies in Heterocyclic Drugs is een boek van Springer;

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QSAR and Molecular Modeling Studies in Heterocyclic Drugs II

QSAR and Molecular Modeling Studies in Heterocyclic Drugs II is een boek van M. K. Gupta;

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Quantitative Structure - Activity Relationship: A Practical Approach

mathematical function and x1, ..., xn are n molecular descriptors. Since the introduction of the initial concept of QSAR in the early 1960s, numerous;

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Advances in Mathematical Chemistry and Applications: Volume 1

sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their;

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Molecular Modelling For Beginners

with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations;

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Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important;

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Computer Simulation of Polymers

of: molecular modelling; molecular dynamics and Monte Carlo methods (statistical methods of modelling using random sampling). The book assumes a;

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QSAR and SPECTRAL-SAR in Computational Ecotoxicology

QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information;

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QSAR and SPECTRAL-SAR in Computational Ecotoxicology

QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information;

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Support Vector Machine In Chemistry

algorithms of SVM, and demonstrates the application examples of SVM in QSARQSPR work, materials and experimental design, phase diagram prediction;

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Combinatorial Library Design and Evaluation

outlines the fundamentals of pharmacophore modelling and 3D Quantitative Structure-Activity Relationships (QSAR), classical QSAR, and target;

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Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular;

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SAR

SAR focuses on the quantitative structure-activity relationship (QSAR) of the disposition and activities of various pharmacological groups;

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Handbook of Chemoinformatics Algorithms

molecular descriptors, virtual screening methods, and quantitative structure-activity relationship (QSAR) models, before introducing algorithms to;

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Tutorials in Chemoinformatics

modeling (QSARQSPR) * Ensemble modeling approaches, including bagging, boosting, stacking and random subspaces *3D pharmacophores modeling and;

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Foundations of Molecular Modeling and Simulation

and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering;

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Modelling of Molecular Properties

Modelling of Molecular Properties: Theoretical Principles and Numerical Simulations considers various aspects of Modelling of Molecular;

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