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-2013
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computational-toxicology-2013
Chapter 1 Methods for Building QSARs
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Abstract
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1 Introduction
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2 Biological Data
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3 Molecular Descriptors
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3 2 2D Molecular Descriptors
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Agent Based
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4 Model Computation
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5 Model Diagnostics
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6 Model Performance Estimation
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7 Interpreting the Models
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8 Concluding Remarks
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Chapter 2 Accessing and Using Chemical Databases
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Abstract
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1 Introduction
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2 Materials
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3 Methods
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4 Examples
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4 2 OASIS Centralized Database
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4 3 The Danish QSAR Database Online
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5 Relational Databases
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6 Examples of Chemical Database Resources Online
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Chapter 3 From QSAR to QSIIR Searching for Enhanced Computational Toxicology Models
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Abstract
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1 Introduction
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2 Availability of Large Compound Collections for In Vivo and In Vitro Toxicity Evaluation
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3 QSAR and Current Challenge of Computational Toxicology
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4 Quantitative Structure In Vitro–In Vivo Relationship
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5 Case Studies 5 1 Using “Hybrid” Descriptors for QSIIR Modeling of Rodent Carcinogenicity
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Chapter 4 Mutagenicity, Carcinogenicity, and Other End points
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Abstract
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1 Introduction
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2 Structure–Activity Relationships and the Prediction of Toxicological End points
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3 Sar Based Expert Systems
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3 2 Toxtree
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3 3 OECD QSAR Application Toolbox
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Computational-Toxicology-2013 | Book-Club |
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