Recommendations for evaluation of computational methods
Top Cited Papers
Open Access
- 13 March 2008
- journal article
- review article
- Published by Springer Science and Business Media LLC in Journal of Computer-Aided Molecular Design
- Vol. 22 (3-4), 133-139
- https://doi.org/10.1007/s10822-008-9196-5
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Managing bias in ROC curvesJournal of Computer-Aided Molecular Design, 2008
- What do we know and when do we know it?Journal of Computer-Aided Molecular Design, 2008
- How to do an evaluation: pitfalls and trapsJournal of Computer-Aided Molecular Design, 2008
- Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?Journal of Computer-Aided Molecular Design, 2008
- Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?Journal of Computer-Aided Molecular Design, 2008
- Can we use docking and scoring for hit-to-lead optimization?Journal of Computer-Aided Molecular Design, 2008
- Bias, reporting, and sharing: computational evaluations of docking methodsJournal of Computer-Aided Molecular Design, 2007
- Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discoveryJournal of Computer-Aided Molecular Design, 2007
- Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based searchJournal of Computer-Aided Molecular Design, 2007
- Lead-like, drug-like or “Pub-like”: how different are they?Journal of Computer-Aided Molecular Design, 2007