Combinatorial Chemistry & High Throughput Screening

Accelerated Technologies for Biotechnology, Bioassays, Medicinal Chemistry and Natural Products Research


Gerald H. Lushington
LiS Consulting
Lawrence, KS

Personal Subscription
Become EABM
Become Reviewer
Call for Editor
Volume: 12 Issue: 4, May

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

Volume:12   Issue: 4
Pp: 330-331
Ovidiu Ivanciuc
DOI: 10.2174/138620709788167999

Machine Learning in Virtual Screening

Volume:12   Issue: 4
Pp: 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

Volume:12   Issue: 4
Pp: 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

Volume:12   Issue: 4
Pp: 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

Volume:12   Issue: 4
Pp: 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

Volume:12   Issue: 4
Pp: 383-396
Bjoern A. Krueger, Axel Dietrich, Karl-Heinz Baringhaus and Gisbert Schneider
DOI: 10.2174/138620709788167971

Virtual Screening with Support Vector Machines and Structure Kernels

Volume:12   Issue: 4
Pp: 409-423
Pierre Mahe and Jean-Philippe Vert
DOI: 10.2174/138620709788167926

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

Volume:12   Issue: 4
Pp: 424-439
Chris Williams and Suzanne K. Schreyer
DOI: 10.2174/138620709788167953

Review on Lazy Learning Regressors and their Applications in QSAR

Volume:12   Issue: 4
Pp: 440-450
Abhijit J. Kulkarni, Valadi K. Jayaraman and Bhaskar D. Kulkarni
DOI: 10.2174/138620709788167908