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

Instability of Interpretable Rules

2017 ◽  
pp. 257-261
Author(s):  
Igor I. Baskin ◽  
Gilles Marcou ◽  
Dragos Horvath ◽  
Alexandre Varnek

3D Pharmacophore Modeling Techniques in Computer-Aided Molecular Design Using LigandScout

2017 ◽  
pp. 279-309 ◽  
Author(s):  
Thomas Seidel ◽  
Sharon D. Bryant ◽  
Gökhan Ibis ◽  
Giulio Poli ◽  
Thierry Langer
Keyword(s):  
Molecular Design ◽  
Pharmacophore Modeling ◽  
3D Pharmacophore ◽  
Computer Aided ◽  
Modeling Techniques

Regression Models

2017 ◽  
pp. 193-208 ◽  
Author(s):  
Igor I. Baskin ◽  
Gilles Marcou ◽  
Dragos Horvath ◽  
Alexandre Varnek
Keyword(s):  
Regression Models

Classification Models

2017 ◽  
pp. 175-192
Author(s):  
Igor I. Baskin ◽  
Gilles Marcou ◽  
Dragos Horvath ◽  
Alexandre Varnek
Keyword(s):  
Classification Models

Design of Diverse and Focused Compound Libraries

2017 ◽  
pp. 83-101 ◽  
Author(s):  
Antonio de la Vega de Leon ◽  
Eugen Lounkine ◽  
Martin Vogt ◽  
Jürgen Bajorath
Keyword(s):  
Compound Libraries
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