دانلود کتاب Chemoinformatics and Advanced Machine Learning Perspectives: Complex Computational Methods and Collaborative Techniques

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Title\n......Page 2
List of Reviewers......Page 4
Table of Contents......Page 5
Detailed Table of Contents......Page 8
Preface......Page 16
Acknowlegment......Page 18
Graph Kernels for Chemoinformatics......Page 20
Optimal Assignment Kernels for ADME in Silico Prediction......Page 35
3D Ligand-Based Virtual Screening with Support Vector Machines......Page 54
A Simulation Study of the Use of Similarity Fusion for Virtual Screening......Page 65
Structure–Activity Relationships by Autocorrelation Descriptors and Genetic Algorithms......Page 79
Graph Mining in Chemoinformatics......Page 114
Protein Homology Analysis for Function Prediction with Parallel Sub-Graph Isomorphism......Page 148
Advanced PLS Techniques in Chemometrics and Their Applications to Molecular Design......Page 164
Nonlinear Partial Least Squares: An Overview......Page 188
Virtual Screening Methods Based on Bayesian Statistics......Page 209
Learning Binding Affinity from Augmented High Throughput Screening Data......Page 231
Application of Machine Learning in Drug Discovery and Development......Page 254
Learning and Prediction of Complex Molecular Structure-Property Relationships: Issues and Strategies for Modeling Intestinal Absorption for Drug Discovery......Page 276
Learning Methodologies for Detection and Classification of Mutagens......Page 293
Brain-like Processing and Classification of Chemical Data: An Approach Inspired by the Sense of Smell......Page 308
Prediction of Compound-Protein Interactions with Machine Learning Methods......Page 323
Chemoinformatics on Metabolic Pathways: Attaching Biochemical Informationon Putative Enzymatic Reactions......Page 337
Compilation of References......Page 359
About the Contributors......Page 406
Index......Page 413