Effectiveness of 2D fingerprints for scaffold hopping

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

(2010) Madhavi Sastry et al.   Journal of Chemical Information and Modeling

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Scaffold Hopping Using Two-Dimensional Fingerprints: True Potential, Black Magic, or a Hopeless Endeavor? Guidelines for Virtual Screening

(2010) Martin Vogt et al.   JOURNAL OF MEDICINAL CHEMISTRY

Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods

(2010) Jianxin Duan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data

(2009) Sebastian G. Rohrer et al.   Journal of Chemical Information and Modeling

Analysis and use of fragment-occurrence data in similarity-based virtual screening

(2009) Shereena M. Arif et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Beyond QSAR: Lead Hopping to Different Structures

(2009) Yvonne C. Martin et al.   Quantitative structure-activity relationships & combinatorial science

Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance

(2009) Eleanor J. Gardiner et al.   Statistical Analysis and Data Mining

Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

(2008) Steven W. Muchmore et al.   Journal of Chemical Information and Modeling

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

(2008) Andrew C. Good et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN