Chemoinformatics and Computational Chemical Biology
| Körperschaft: | |
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| Weitere Verfasser: | |
| Zusammenfassung: | X, 588 p. 150 illus., 13 illus. in color. text |
| Sprache: | Englisch |
| Veröffentlicht: |
Totowa, NJ :
Humana Press : Imprint: Humana,
2011.
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| Ausgabe: | 1st ed. 2011. |
| Schriftenreihe: | Methods in Molecular Biology,
672 |
| Schlagworte: | |
| Online-Zugang: | https://doi.org/10.1007/978-1-60761-839-3 |
| Format: | Elektronisch Buch |
Inhaltsangabe:
- Some Trends in Chem(o)informatics
- Molecular Similarity Measures
- The Ups and Downs of Structure-Activity Landscapes
- Computational Analysis of Activity and Selectivity Cliffs
- Similarity Searching Using 2D Structural Fingerprints
- Predicting the Performance of Fingerprint Similarity Searching
- Bayesian Methods in Virtual Screening and Chemical Biology
- Reduced Graphs and Their Applications in Chemoinformatics
- Fragment Descriptors in Structure-Property Modeling and Virtual Screening
- The Scaffold Tree: An Efficient Navigation in the Scaffold Universe
- Pharmacophore-Based Virtual Screening
- De novo Drug Design
- Classification of Chemical Reactions and Chemoinformatics Approaches to Enzymatic Transformations
- Informatics Approach to the Rational Design of siRNA Libraries
- Beyond Rhodopsin: G Protein-Coupled Receptor Structure and Modeling Incorporating the β2-adrenergic and Adenosine A2A Crystal Structures
- Methods for Combinatorial and Parallel Library Design
- The Interweaving of Cheminformatics and HTS
- Computational Systems Chemical Biology
- Ligand-Based Approaches to In Silico Pharmacology
- Molecular Test Systems for Computational Selectivity Studies and Systematic Analysis of Compound Selectivity Profiles
- Application of Support Vector Machine-Based Ranking Strategies to Search for Target-Selective Compounds
- What Do We Know?: Simple Statistical Techniques that Help.