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Practical Chemoinformatics

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Cover of 'Practical Chemoinformatics'

Table of Contents

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    Book Overview
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    Chapter 1 Open-Source Tools, Techniques, and Data in Chemoinformatics
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    Chapter 2 Chemoinformatics Approach for the Design and Screening of Focused Virtual Libraries
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    Chapter 3 Machine Learning Methods in Chemoinformatics for Drug Discovery
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    Chapter 4 Docking and Pharmacophore Modelling for Virtual Screening
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    Chapter 5 Active Site-Directed Pose Prediction Programs for Efficient Filtering of Molecules
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    Chapter 6 Representation, Fingerprinting, and Modelling of Chemical Reactions
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    Chapter 7 Predictive Methods for Organic Spectral Data Simulation
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    Chapter 8 Chemical Text Mining for Lead Discovery
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    Chapter 9 Integration of Automated Workflow in Chemoinformatics for Drug Discovery
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    Chapter 10 Cloud Computing Infrastructure Development for Chemoinformatics
Attention for Chapter 7: Predictive Methods for Organic Spectral Data Simulation
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