Chemoinformatics Approaches to Virtual Screening
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Published By Royal Society Of Chemistry

9780854041442
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Chapter 5. Molecular Field Topology Analysis in Drug Design and Virtual Screening

2009 ◽  
pp. 150-181 ◽  
Author(s):  
Eugene V. Radchenko ◽  
Vladimir A. Palyulin ◽  
Nikolay S. Zefirov
Keyword(s):  
Virtual Screening ◽  
Drug Design ◽  
Molecular Field ◽  
Topology Analysis

Chapter 6. Probabilistic Approaches in Activity Prediction

2009 ◽  
pp. 182-216 ◽  
Author(s):  
Dmitry Filimonov ◽  
Vladimir Poroikov
Keyword(s):  
Activity Prediction

Chapter 8. Early ADME/T Predictions: Toy or Tool?

2009 ◽  
pp. 240-267 ◽  
Author(s):  
Igor V. Tetko ◽  
Tudor I. Oprea

Chapter 3. Pharmacophore-based Virtual Screening in Drug Discovery

2009 ◽  
pp. 76-119 ◽  
Author(s):  
Christian Laggner ◽  
Gerhard Wolber ◽  
Johannes Kirchmair ◽  
Daniela Schuster ◽  
Thierry Langer
Keyword(s):  
Drug Discovery ◽  
Virtual Screening

Chapter 7. Fragment-based De Novo Design of Drug-like Molecules

2009 ◽  
pp. 217-239 ◽  
Author(s):  
Ewgenij Proschak ◽  
Yusuf Tanrikulu ◽  
Gisbert Schneider
Keyword(s):  
De Novo ◽  
De Novo Design
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