Tutorials in Chemoinformatics
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Published By John Wiley & Sons, Ltd

9781119161110, 9781119137962
Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Relational Chemical Databases

2017 ◽  
pp. 37-66
Author(s):  
Gilles Marcou ◽  
Alexandre Varnek
Keyword(s):  
Chemical Databases

Data Curation

2017 ◽  
pp. 1-36
Author(s):  
Gilles Marcou ◽  
Alexandre Varnek
Keyword(s):  
Data Curation

Bagging and Boosting of Classification Models

2017 ◽  
pp. 241-247 ◽  
Author(s):  
Igor I. Baskin ◽  
Gilles Marcou ◽  
Dragos Horvath ◽  
Alexandre Varnek
Keyword(s):  
Classification Models

Benchmarking Machine-Learning Methods

2017 ◽  
pp. 209-222
Author(s):  
Igor I. Baskin ◽  
Gilles Marcou ◽  
Dragos Horvath ◽  
Alexandre Varnek
Keyword(s):  
Machine Learning ◽  
Learning Methods ◽  
Machine Learning Methods

Index

2017 ◽  
pp. 449-462

Handling of Markush Structures

2017 ◽  
pp. 67-73
Author(s):  
Timur Madzhidov ◽  
Ramil Nugmanov ◽  
Alexandre Varnek
Keyword(s):  
Markush Structures

Hierarchical Clustering in R

2017 ◽  
pp. 103-118 ◽  
Author(s):  
Martin Vogt ◽  
Jürgen Bajorath
Keyword(s):  
Hierarchical Clustering

Cross-Validation and the Variable Selection Bias

2017 ◽  
pp. 163-173
Author(s):  
Igor I. Baskin ◽  
Gilles Marcou ◽  
Dragos Horvath ◽  
Alexandre Varnek
Keyword(s):  
Variable Selection ◽  
Selection Bias ◽  
Cross Validation

Front Matter

2017 ◽  
pp. i-xix

QSPR Models on Fragment Descriptors

2017 ◽  
pp. 135-162 ◽  
Author(s):  
Vitaly Solov'ev ◽  
Alexandre Varnek
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