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An Introduction to Chemoinformatics 100% nowy, GORĄCY

fachowe i poradniki Książki naukowe Książki i czasopisma naukribatao.com revestry114-v92ehpzt2 152zł TcJjp6212 An Introduction to Chemoinformatics 100% nowy, GORĄCY An Introduction to Chemoinformatics 100% nowy, GORĄCY Chemoinformatics to Introduction An Chemoinformatics to Introduction An fachowe i poradniki Książki naukowe Książki i czasopisma naukribatao.com revestry114-v92ehpzt2 152zł TcJjp6212 An Introduction to Chemoinformatics 100% nowy, GORĄCY An Introduction to Chemoinformatics 100% nowy, GORĄCY Chemoinformatics to Introduction An Chemoinformatics to Introduction An fachowe i poradniki Książki naukowe Książki i czasopisma

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Stan: Dobry: Książka, która była czytana, ale nadal jest w dobrym stanie. Na okładce widoczne są nieznaczne ślady ... Dowiedz się więcejo stanie przedmiotu Book Title: An Introduction to Chemoinformatics
ISBN: 9781402013478 EAN: 9781402013478
Publication Year: 2003 Type: Textbook
Format: Hardcover Language: English
Publication Name: Introduction to Chemoinformatics Author: Andrew R. Leach International, V. J. Gillet
Item Length: 11.7in. Publisher: Springer
Item Width: 8.3in. Item Weight: 44.1 Oz
Number of Pages: Xv, 255 Pages

O tym produkcie

Product Information
This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. Simple illustrative examples are used to illustrate key concepts, supplemented with case studies from the literature.
Product Identifiers
PublisherSpringer
ISBN-101402013477
ISBN-139781402013478
eBay Product ID (ePID)2838033
Product Key Features
AuthorAndrew R. Leach International, V. J. Gillet
Publication NameIntroduction to Chemoinformatics
FormatHardcover
LanguageEnglish
Publication Year2003
TypeTextbook
Number of PagesXv, 255 Pages
Dimensions
Item Length11.7in.
Item Width8.3in.
Item Weight44.1 Oz
Additional Product Features
Number of Volumes1 Vol.
Lc Classification NumberQd1-999
ReviewsThis is a rather remarkable little book. Just as its title promises, it provides an introduction to a very wide variety of chemoinformatic and CADD topics. Allthough the book is written for beginning graduate students and advanced undergraduates, it could certainly provide a very helpful overview for professionals with no prior knowledge of the subject matter. Robert S. Pearlman, University of Texas at Austin. J.Am. Chem. Soc., Vol 126, No. 4, 2004., This is a rather remarkable little book. Just as its title promises, it provides an introduction to a very wide variety of chemoinformatic and CADD topics. Allthough the book is written for beginning graduate students and advanced undergraduates, it could certainly provide a very helpful overview for professionals with no prior knowledge of the subject matter.Robert S. Pearlman, University of Texas at Austin.J.Am. Chem. Soc., Vol 126, No. 4, 2004.
Table of ContentPreface. Acknowledgements.1: Representation and Manipulation of 2D Molecular Structures. 1. Introduction. 2. Computer Representations of Chemical Structures. 3. Structure Searching. 4. Substructure Searching. 5. Reaction Databases. 6. The Representation of Patents and Patent Databases. 7. Relational Database Systems. 8. Summary.2: Representation and Manipulation of 3D Molecular Structures. 1. Introduction. 2. Experimental 3D databases. 3. 3D Pharmacophores. 4. Implementation of 3D database Searching. 5. Theoretical 3D Databases. 6. Methods to Derive 3D Pharmacophores. 7. Applications of 3D Pharmacophore Mapping and 3D Database Searching. 8. Summary.3: Molecular Descriptors. 1. Introduction. 2. Descriptors Calculated from the 2D Structure. 3. Descriptors Based on 3D Representations. 4. Data Verification and Manipulation. 5. Summary.4: Computational Models. 1. Introduction. 2. Historical Overview. 3. Deriving a QSAR Equation: Simple and Multiple Linear Regression. 4. Designing a QSAR 'Experiment'. 5. Principal Components Regression. 6. Partial Least Squares. 7. Molecular Field Analysis and Partial Least Squares. 8. Summary.5: Similarity Methods. 1. Introduction. 2. Similarity Based on 2D Fingerprints. 3. Similarity Coefficients. 4. Other 2D Descriptor Methods. 5. 3D Similarity. 6. Summary.6: Selecting Diverse SetsOf Compounds. 1. Introduction. 2. Cluster Analysis. 3. Dissimilarity-Based selection methods. 4. Cell-Based Methods. 5. Optimisation Methods. 6. Comparison and Evaluation of Selection Methods. 7. Summary.7: Analysis of High-Throughput Screening Data. 1. Introduction. 2. Data Visualisation. 3. Data Mining Methods. 4. Summary.8: Virtual Screening. 1. Introduction. 2. 'Drug-Likeness' and Compound Filters. 3. Structure-Based Virtual Screening. 4. The Prediction of ADMET Properties. 5. Summary.9: Combinatorial Chemistry and Library Design. 1. Introduction. 2. Diverse and Focussed Libraries. 3. Library Enumeration. 4. Combinatorial Library Design Strategies. 5. Approaches to Product-Based Library Design. 6. Multiobjective Library Design. 7. Practical Examples of Library Design. 8. Summary. Appendix 1: Matrices, Eigenvectors and Eigenvalues. Appendix 2: Conformation, Energy Calculations and Energy Surfaces. Further Reading. References. Index.
Copyright Date2007
Target AudienceScholarly & Professional
TopicPharmacy, Chemistry / Physical & Theoretical, Chemistry / Computational & Molecular Modeling, Chemistry / General
Lccn2003-052181
Dewey Decimal542.8
Dewey Edition22
IllustratedYes
GenreScience, Medical

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