Contents

Combinatorial Chemistry & High Throughput Screening, Volume 12 - Number 4

Editorial [Hot Topic: Machine Learning for Virtual Screening (Part 1) (Guest Editor: Ovidiu Ivanciuc)]

, 12(4): 330 - 331

Ovidiu Ivanciuc


DOI: 10.2174/138620709788167999




Machine Learning in Virtual Screening

, 12(4): 332 - 343

James L. Melville, Edmund K. Burke and Jonathan D. Hirst


DOI: 10.2174/138620709788167980




Comparative Analysis of Machine Learning Methods in Ligand-Based Virtual Screening of Large Compound Libraries

, 12(4): 344 - 357

Xiao H. Ma, Jia Jia, Feng Zhu, Ying Xue, Ze R. Li and Yu Z. Chen


DOI: 10.2174/138620709788167944




Performance of Machine Learning Methods for Ligand-Based Virtual Screening

, 12(4): 358 - 368

Dariusz Plewczynski, Stephane A.H. Spieser and Uwe Koch


DOI: 10.2174/138620709788167962




Virtual Screening for Cytochromes P450: Successes of Machine Learning Filters

, 12(4): 369 - 382

Julien Burton, Ismail Ijjaali, Francois Petitet, Andre Michel and Daniel P. Vercauteren


DOI: 10.2174/138620709788167935




Scaffold-Hopping Potential of Fragment-Based De Novo Design: The Chances and Limits of Variation

, 12(4): 383 - 396

Bjoern A. Krueger, Axel Dietrich, Karl-Heinz Baringhaus and Gisbert Schneider


DOI: 10.2174/138620709788167971




Structure-Based Drug Screening and Ligand-Based Drug Screening with Machine Learning

, 12(4): 397 - 408

Yoshifumi Fukunishi


DOI: 10.2174/138620709788167890




Virtual Screening with Support Vector Machines and Structure Kernels

, 12(4): 409 - 423

Pierre Mahe and Jean-Philippe Vert


DOI: 10.2174/138620709788167926




Reverse Fingerprinting and Mutual Information-Based Activity Labeling and Scoring (MIBALS)

, 12(4): 424 - 439

Chris Williams and Suzanne K. Schreyer


DOI: 10.2174/138620709788167953




Review on Lazy Learning Regressors and their Applications in QSAR

, 12(4): 440 - 450

Abhijit J. Kulkarni, Valadi K. Jayaraman and Bhaskar D. Kulkarni


DOI: 10.2174/138620709788167908




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