Screen LibraryVirtual screening for bioactive molecules
Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typically 100,000 to one million molecules have t...
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| Group Author: | ; |
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| Published: |
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| Literature type: | Electronic eBook |
| Language: | English |
| Series: |
Methods and principles in medicinal chemistry ;
v. 10 |
| Subjects: | |
| Online Access: |
http://onlinelibrary.wiley.com/book/10.1002/9783527613083 |
| Summary: |
Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typically 100,000 to one million molecules have to be tested within a short period and, therefore, highly effective screening methods are necessary for today's researchers - preparing and characterizing one compound after another belongs to the past. Intelligent, computer-based search agents are needed and "virtual screening" provides so. |
| Carrier Form: | 1 online resource (xviii, 307 pages) : illustrations. |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: |
9783527613090 (electronic bk.) 3527613099 (electronic bk.) 9783527613083 3527613080 1282010352 9781282010352 |
| Index Number: | RS420 |
| CLC: | R914.2-39 |
| Contents: |
High-throughput screening and virtual screening: entry points to drug discovery / Library filtering systems and prediction of drug-like properties / Prediction of physicochemical properties / Descriptor-based similarity measures for screening chemical databases / Modelling structure-activity relationships / Database profiling by neural networks / |