The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability

Confidence limits, error bars and method comparison in molecular modeling. Part 1: The calculation of confidence intervals

(2014) A. Nicholls   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The NumPy Array: A Structure for Efficient Numerical Computation

(2011) Stéfan van der Walt et al.   COMPUTING IN SCIENCE & ENGINEERING

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

(2010) Hanna Geppert et al.   Journal of Chemical Information and Modeling

Comparison of Ligand- and Structure-Based Virtual Screening on the DUD Data Set

(2009) Modest von Korff et al.   Journal of Chemical Information and Modeling

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

(2009) Jason B. Cross et al.   Journal of Chemical Information and Modeling

How to do an evaluation: pitfalls and traps

(2008) Paul C. D. Hawkins et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

(2008) Johannes Kirchmair et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

What do we know and when do we know it?

(2008) Anthony Nicholls   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Pharao: Pharmacophore alignment and optimization

(2008) Jonatan Taminau et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

About the relationship between ROC curves and Cohen's kappa

(2007) Arie Ben-David   ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE

Comparison of classification accuracy using Cohen’s Weighted Kappa

(2006) A BENDAVID   EXPERT SYSTEMS WITH APPLICATIONS