Contents

Combinatorial Chemistry & High Throughput Screening, Volume 12 - Number 5

Editorial [Hot Topic: Machine Learning for Virtual Screening (Part 2) (Guest Editor: Ovidiu Ivanciuc)]

, 12(5): 451 - 452

Ovidiu Ivanciuc


DOI: 10.2174/138620709788489091




How Wrong Can We Get? A Review of Machine Learning Approaches and Error Bars

, 12(5): 453 - 468

Anton Schwaighofer, Timon Schroeter, Sebastian Mika and Gilles Blanchard


DOI: 10.2174/138620709788489064




Bayesian Modeling in Virtual High Throughput Screening

, 12(5): 469 - 483

Anthony E. Klon


DOI: 10.2174/138620709788489046




Virtual High Throughput Screening Using Combined Random Forest and Flexible Docking

, 12(5): 484 - 489

Dariusz Plewczynski, Marcin von Grotthuss, Leszek Rychlewski and Krzysztof Ginalski


DOI: 10.2174/138620709788489000




The Applications of Machine Learning Algorithms in the Modeling of Estrogen-Like Chemicals

, 12(5): 490 - 496

Huanxiang Liu, Xiaojun Yao and Paola Gramatica


DOI: 10.2174/138620709788489037




Recent Developments of In Silico Predictions of Intestinal Absorption and Oral Bioavailability

, 12(5): 497 - 506

Tingjun Hou, Youyong Li, Wei Zhang and Junmei Wang


DOI: 10.2174/138620709788489082




Feature Selection and Classification Employing Hybrid Ant Colony Optimization/Random Forest Methodology

, 12(5): 507 - 513

Diwakar Patil, Rahul Raj, Prashant Shingade, Bhaskar Kulkarni and Valadi K. Jayaraman


DOI: 10.2174/138620709788488993




Controlling Feature Selection in Random Forests of Decision Trees Using a Genetic Algorithm: Classification of Class I MHC Peptides

, 12(5): 514 - 519

Loren Hansen, Ernestine A. Lee, Kevin Hestir, Lewis T. Williams and David Farrelly


DOI: 10.2174/138620709788488984




Meet the Guest Editor

, 12(5): 520

Ovidiu Ivanciuc


DOI: 10.2174/138620709788489055




Profiling Human Saliva Endogenous Peptidome via a High Throughput MALDI-TOF-TOF Mass Spectrometry

, 12(5): 521 - 531

Chun-Ming Huang and Wenhong Zhu


DOI: 10.2174/138620709788489019




High Throughput Heme Assay by Detection of Chemiluminescence of Reconstituted Horseradish Peroxidase

, 12(5): 532 - 535

Shigekazu Takahashi and Tatsuru Masuda


DOI: 10.2174/138620709788489028




Multicomponent One-Pot Reactions: Synthesis of Some New 6-Oxopyrano [2,3-c]Isochromenes by Condensation of Homophthalic Anhydride, Dialkyl acetylenedicarboxylate, and Isocyanides

, 12(5): 536 - 542

Ali A. Mohammadi, Roya Akbarzadeh and Hamed Rouhi


DOI: 10.2174/138620709788489073




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