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Chemoinformatics Approaches to Virtual Screening

based virtual screening approaches are relatively computationally inefficient, which has precluded them from screening really large compound;

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Chemoinformatics in Drug Discovery

-from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. It is an;

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An Introduction to Chemoinformatics

analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts;

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An Introduction to Chemoinformatics

analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts;

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Small Molecule Drug Discovery

chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the;

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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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Virtual Screening and Drug Docking

, Rational computational approaches to predict novel drug candidates against leishmaniasis, Virtual screening against Mtb DNA gyrase: Applications;

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Advances in Mathematical Chemistry and Applications: Volume 1

polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability;

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Virtual Screening in Drug Discovery

method, Virtual Screening in Drug Discovery explores the algorithms involved and how to actually use them. Part I offers perspectives on both;

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Virtual Screening in Drug Discovery

method, Virtual Screening in Drug Discovery explores the algorithms involved and how to actually use them. Part I offers perspectives on both;

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Chemoinformatics for Drug Discovery

The first guide to address the strengths, weaknesses, case studies, and applications of cheminformatics approaches to drug discovery;

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Advances in Mathematical Chemistry and Applications: Volume 2

aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening;

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Tutorials in Chemoinformatics

methods in the field. It takes an applied approach to the subject with a strong emphasis on problem-solving and computational methodologies. Each;

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Virtual Screening: Principles, Challenges, and Practical Guidelines

be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to real;

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Handbook of Drug Screening

methods and technologies of advanced drug screening, an essential function of drug discovery. With extensively updated content and 21 new;

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Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial;

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Computational Phytochemistry

information about phytochemicals and optimize working approaches. This book aims to support and encourage researchers currently working with, or;

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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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Computational Drug Discovery for Vibrio cholera

Molecular docking plays an important role in the process of drug discovery; specifically in virtual screening of combinatorial libraries;

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Practical Chemoinformatics

Chemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book;

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Computational Chemogenomics

This book focuses on applications of compound library design and virtual screening to expand the bioactive chemical space, to target;

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Epi-Informatics

computational-guided optimization of epi-hits, virtual screening to identify novel compounds for epigenetic targets, development and mining;

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G Protein Coupled Receptors

in relationship to biased agonism, structure-based virtual screening, and GPCR oligomerization in the brain. Continues the legacy of this;

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Antimicrobial Drug Discovery

growing demand for research to tackle the threat of multidrug resistance. Documenting the latest research in the field, this book discusses;

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G Protein Coupled Receptors

, virtual screening and GPCR activation. Continues the legacy of this premier serial with quality chapters authored by leaders in the;

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Fragment-Based Drug Discovery

: screening by mass spectrometry computational approaches to fragment and substructure discovery and evaluation virtual fragment scanning: current;

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Comprehensive Analysis of Parasite Biology

approaches to drug discovery against pathogenic protozoa. The chapters focus particularly on virtual compounds and high throughput screening, natural;

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