| Description |
1 online resource (xix, 436 pages) : illustrations (some color) |
| Series |
Quantitative and network biology ; v. 2 |
|
Quantitative and network biology ; v. 2
|
| Contents |
Front Matter -- Current Modeling Methods Used in QSAR/QSPR / Liew Chin Yee, Yap Chun Wei -- Developing Best Practices for Descriptor-Based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, and Expectations / Michael Krein, Tao-Wei Huang, Lisa Morkowchuk, Dimitris K Agrafiotis, Curt M Breneman -- Mold Molecular Descriptors for QSAR / Huixiao Hong, Svetoslav Slavov, Weigong Ge, Feng Qian, Zhenqiang Su, Hong Fang, Yiyu Cheng, Roger Perkins, Leming Shi, Weida Tong -- Multivariate Analysis of Molecular Descriptors / Viviana Consonni, Roberto Todeschini -- Partial-Order Ranking and Linear Modeling: Their Use in Predictive QSAR/QSPR Studies / Andrew G Mercader, Eduardo A Castro -- Graph-Theoretical Descriptors for Branched Polymers / Koh-Hei Nitta -- Structural-Similarity-Based Approaches for the Development of Clustering and QSPR/QSAR Models in Chemical Databases / Irene Luque Ruiz, Gonzalo Cerruela Garcia, Miguel Angel G̤mez-Nieto -- Statistical Methods for Predicting Compound Recovery Rates for Ligand-Based Virtual Screening and Assessing the Probability of Activity / Martin Vogt, Jurgen Bajorath -- Molecular Descriptors and the Electronic Structure / Ḇgel Horst -- New Types of Descriptors and Models in QSAR/QSPR / Christian Kramer, Timothy Clark -- Consensus Models of Activity Landscapes / Još L Medina-Franco, Austin B Yongye, Fabian L̤pez-Vallejo -- Reverse Engineering Chemical Reaction Networks from Time Series Data / Dominic P Searson, Mark J Willis, Allen Wright -- Reduction of Dimensionality, Order, and Classification in Spaces of Theoretical Descriptions of Molecules: An Approach Based on Metrics, Pattern Recognition Techniques, and Graph Theoretic Considerations / George Maroulis -- The Analysis of Organic Reaction Pathways by Brownian Processing / Daniel J Graham -- Generation of Chemical Transformations: Reaction Pathways Prediction and Synthesis Design / Grazna Nowak, Grzegorz Fic -- Index |
| Bibliography |
Includes bibliographical references and index |
| Notes |
Print version record |
| Subject |
Bioinformatics.
|
|
Molecules -- Models -- Computer simulation.
|
| Form |
Electronic book
|
| Author |
Bonchev, Danail.
|
|
Dehmer, Matthias, 1968-
|
|
Varmuza, Kurt, 1942-
|
|
Wiley InterScience (Online service)
|
| ISBN |
1283596962 |
|
3527645020 |
|
3527645128 (electronic bk.) |
|
9781283596961 |
|
9783527645022 |
|
9783527645121 (electronic bk.) |
|
(print) |
|
(print) |
|
