Statistical modelling of molecular descriptors in QSAR/QSPR /

• Συγγραφή απο Οργανισμό/Αρχή: Wiley InterScience (Online service)
• Άλλοι συγγραφείς: Dehmer, Matthias, 1968-, Varmuza, Kurt, 1942-, Bonchev, Danail
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Weinheim : Wiley-VCH ; [2012]
• Σειρά: Quantitative and network biology ; v. 2.
• Θέματα: Bioinformatics.; Molecules > Models > Computer simulation.; Electronic books.

 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.