04726cam a2200661Ka 4500 ocn784124318 OCoLC 20171114104422.0 m o d cr cn||||||||| 120406s2012 gw a ob 001 0 eng d 9783527645121 (electronic bk.) 3527645128 (electronic bk.) 1283596962 9781283596961 9783527645022 3527645020 9783527324347 (print) 3527324348 (print) AU@ 000050042903 DEBBG BV041909726 DKDLA 820120-katalog:000600215 NZ1 14976660 DEBBG BV043394412 (OCoLC)784124318 (OCoLC)809977266 (OCoLC)810317932 (OCoLC)817812322 (OCoLC)961567769 (OCoLC)962678413 (OCoLC)965997102 10.1002/9783527645121 Wiley InterScience http://www3.interscience.wiley.com DG1 eng pn DG1 YDXCP NTE E7B OCLCQ OCLCF OCLCA CDX NKT IDEBK OCLCQ COO OCLCQ DEBBG AZK LOA MAIN QH324.2 .S73 2012 572.80285 23 Statistical modelling of molecular descriptors in QSAR/QSPR / edited by Matthias Dehmer, Kurt Varmuza, and Danail Bonchev. [electronic resource] Statistical modeling of molecular descriptors in QSAR/QSPR Weinheim : Wiley-VCH ; [Chichester] : [John Wiley, distributor], ©2012. 1 online resource (xix, 436 pages) : illustrations (some color). text txt rdacontent computer c rdamedia online resource cr rdacarrier data file rda Bibliography Quantitative and network biology ; v. 2 Includes bibliographical references and index. 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 / B̲gel 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. Print version record. Bioinformatics. Molecules Models Computer simulation. Bioinformatics. fast (OCoLC)fst00832181 Molecules Models Computer simulation. fast (OCoLC)fst01024880 Electronic books. Electronic books. local Dehmer, Matthias, 1968- Varmuza, Kurt, 1942- Bonchev, Danail. Wiley InterScience (Online service) Print version: Statistical modelling of molecular descriptors in QSAR/QSPR. Weinheim : Wiley-VCH ; [Chichester : John Wiley, distributor], ©2012 9783527324347 (OCoLC)768072877 Quantitative and network biology ; v. 2. http://onlinelibrary.wiley.com/book/10.1002/9783527645121 Wiley Online Library ddc BK 205772 205772