You have Guest access.
Log In
Volume 1 / 1987 - Volume 26 / 2012
Formerly merged with Perspectives in Drug Discovery and Design (1993-2000)
Guest Editors: Ajay N. Jain and Anthony Nicholls
131
Editorial: Special Issue on “Evaluation of Computational Methods”
T. Stouch
133-139
Recommendations for evaluation of computational methods
Ajay N. Jain and Anthony Nicholls
141-146
Managing bias in ROC curves
Robert D. Clark and Daniel J. Webster-Clark
147-159
Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery
Ann E. Cleves and Ajay N. Jain
161-168
Can we use docking and scoring for hit-to-lead optimization?
Istvan J. Enyedy and William J. Egan
169-178
Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
Andrew C. Good and Tudor I. Oprea
179-190
How to do an evaluation: pitfalls and traps
Paul C. D. Hawkins, Gregory L. Warren, A. Geoffrey Skillman and Anthony Nicholls
191-192
Erratum
193-199
Community benchmarks for virtual screening
John J. Irwin
201-212
Bias, reporting, and sharing: computational evaluations of docking methods
Ajay N. Jain
213-228
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?
Johannes Kirchmair, Patrick Markt, Simona Distinto, Gerhard Wolber and Thierry Langer
229-238
Evaluating docking programs: keeping the playing field level
John W. Liebeschuetz
239-255
What do we know and when do we know it?
Anthony Nicholls
257-265
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results
Robert P. Sheridan, Georgia B. McGaughey and Wendy D. Cornell
Frequently asked questions General info on journals and books Send us your feedback Impressum Contact us
© Springer, Part of Springer Science+Business Media Privacy, Disclaimer, Terms & Conditions, and Copyright Info