Course Content
Before You Start: Book Club Orientation
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Promo
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Book Club System: How It Works & How You Win
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Computational Toxicology: Methods and Protocols | Book Club
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Computational Toxicology: Methods and Protocols | Book Club
chapter 1.
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1 Abstract
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1 Introduction
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1. 1 Molecular Representation and Descriptor Dimensionality
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1. 2 Classical Descriptors
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1. 3 Descriptor Choice and Activity
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2 Materials
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2.3 Classification QSARs
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2.4 Model Performance Evaluation
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2. 5 Example
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2 .7 Supplementary Material
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3 Methods
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3. 1 Structure Representation
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3 .2 Descriptor Calculation
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3 .3 Predictions with the CART Model
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3. 4 Predictions with the KNN Model
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3. 5 Bringing it all Together
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4 Notes
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Computational Toxicology: Methods and Protocols | Book Club |
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