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- 000 02901cam a2200277 a 4500
- 008 120406s2012 gw a b 001 0 eng d
- 020 __ |a 9783527324347 (hbk.)
- 040 __ |a DG1 |b eng |c DG1 |d YDXCP |d OH1
- 099 __ |a CAL 022012117676
- 245 00 |a Statistical modelling of molecular descriptors in QSAR/QSPR / |c edited by Matthias Dehmer, Kurt Varmuza, and Danail Bonchev.
- 260 __ |a Weinheim : |b Wiley-Vch Verlag &Co. KgaA , |c c2012.
- 300 __ |a xix, 436 p. : |b ill. (some col.) ; |c 25 cm.
- 490 0_ |a Quantitative and network biology ; |v v. 2
- 504 __ |a Includes bibliographical references and index.
- 505 0_ |a 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 ?Gmez-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 / ?gel Horst -- New Types of Descriptors and Models in QSAR/QSPR / Christian Kramer, Timothy Clark -- Consensus Models of Activity Landscapes / Jo? L Medina-Franco, Austin B Yongye, Fabian ?Lpez-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.
- 650 _0 |a Bioinformatics.
- 650 _0 |a Molecules |x Models |x Computer simulation.
- 700 1_ |a Dehmer, Matthias, |d 1968-
- 700 1_ |a Varmuza, Kurt, |d 1942-
- 700 1_ |a Bonchev, Danail.
- 950 __ |a SCNU |f Q7-05/D322