Research graph
References from Large-Scale Comparison of Alternative Similarity Search Strategies with Varying Chemical Information Contents. Local targets link to admitted publications; unresolved targets remain external evidence.
Chemical Similarity Searching
10.1021/ci9800211 · 1998 · External reference
Similarity searching
10.1002/wcms.23 · 2011 · External reference
Similarity-based Virtual Screening Using 2D Fingerprints
10.1016/j.drudis.2006.10.005 · 2006 · External reference
Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications
10.1021/jm101020z · 2010 · External reference
State-of-the-art in Ligand-based Virtual Screening
10.1016/j.drudis.2011.02.011 · 2011 · External reference
Machine Learning Methods for Property Prediction in Cheminformatics: Quo Vadis?
10.1021/ci200409x · 2012 · External reference
Comparison of Fingerprint-based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
10.1021/ci034231b · 2004 · External reference
Neighborhood Behavior – A Useful Concept for Validation of Molecular Diversity Descriptors
10.1021/jm960290n · 1996 · External reference
Enhancing the Effectiveness of Similarity-based Virtual Screening Using Nearest-Neighbour Information
10.1021/jm050316n · 2005 · External reference
Turbo Similarity Searching: Effect of Fingerprint and Dataset on Virtual-Screening Performance
10.1002/sam.10037 · 2009 · External reference
Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients
10.1021/ci049867x · 2004 · External reference
Do Not Hesitate to Use Tversky - And Other Hints for Successful Active Analogue Searches with Feature Count Descriptors
10.1021/ci400106g · 2013 · External reference
Features of Similarity
10.1037/0033-295x.84.4.327 · 1977 · External reference
Fingerprint Scaling Increases the Probability of Identifying Molecules with Similar Activity in Virtual Screening Calculations
10.1021/ci000311t · 2001 · External reference
Profile Scaling Increases the Similarity Search Performance of Molecular Fingerprints Containing Numerical Descriptors and Structural Keys
10.1021/ci030287u · 2003 · External reference
How Do 2D Fingerprints Detect Structurally Diverse Active Compounds? Revealing Compound Subset-specific Fingerprint Features through Systematic Selection
10.1021/ci200275m · 2011 · External reference
Apparent Asymmetry in Fingerprint Similarity Searching is a Direct Consequence of Differences in Bit Densities and Molecular Size
10.1002/cmdc.200700050 · 2007 · External reference
The ChEMBL Bioactivity Database: An Update
10.1093/nar/gkt1031 · 2014 · External reference
Influence of Search Parameters and Criteria on Compound Selection, Promiscuity, and Pan Assay Interference Characteristics
10.1021/ci5005509 · 2014 · External reference
The Properties of Known Drugs. 1. Molecular Frameworks
10.1021/jm9602928 · 1996 · External reference
Extended-Connectivity Fingerprints
10.1021/ci100050t · 2010 · External reference
Unresolved reference
External reference
The Use of the Area under the ROC Curve in the Evaluation of Machine Learning Algorithms
10.1016/s0031-3203(96)00142-2 · 1997 · External reference
