Rule-Based Classification of Chemical Structures by Scaffold

Effectiveness of 2D fingerprints for scaffold hopping

(2011) Eleanor J Gardiner et al.   Future Medicinal Chemistry

Combining Horizontal and Vertical Substructure Relationships in Scaffold Hierarchies for Activity Prediction

(2011) Ye Hu et al.   Journal of Chemical Information and Modeling

MultiMCS: A Fast Algorithm for the Maximum Common Substructure Problem on Multiple Molecules

(2011) Ramesh Hariharan et al.   Journal of Chemical Information and Modeling

Mining for Bioactive Scaffolds with Scaffold Networks: Improved Compound Set Enrichment from Primary Screening Data

(2011) Thibault Varin et al.   Journal of Chemical Information and Modeling

Bioactivity-Guided Navigation of Chemical Space

(2010) Robin S. Bon et al.   ACCOUNTS OF CHEMICAL RESEARCH

Compound Set Enrichment: A Novel Approach to Analysis of Primary HTS Data

(2010) Thibault Varin et al.   Journal of Chemical Information and Modeling

Extended-Connectivity Fingerprints

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

Scaffold Explorer: An Interactive Tool for Organizing and Mining Structure−Activity Data Spanning Multiple Chemotypes

(2010) Dimitris K. Agrafiotis et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

MolWind – mapping molecule spaces to geospatial worlds

(2009) C Herhaus et al.   Chemistry Central Journal

Scaffold Distributions in Bioactive Molecules, Clinical Trials Compounds, and Drugs

(2009) Ye Hu et al.   ChemMedChem

The value of the Semantic Web in the laboratory

(2009) Jeremy G. Frey   DRUG DISCOVERY TODAY

2D Depiction of Fragment Hierarchies

(2009) Alex M. Clark   Journal of Chemical Information and Modeling

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

(2009) Lorenz C. Blum et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bioactivity-guided mapping and navigation of chemical space

(2009) Steffen Renner et al.   Nature Chemical Biology

Interactive exploration of chemical space with Scaffold Hunter

(2009) Stefan Wetzel et al.   Nature Chemical Biology

Scaffold Diversity Analysis of Compound Data Sets Using an Entropy-Based Measure

(2009) Jose L. Medina-Franco et al.   Quantitative structure-activity relationships & combinatorial science

DrugViz: a Cytoscape plugin for visualizing and analyzing small molecule drugs in biological networks

(2008) B. Xiong et al.   BIOINFORMATICS

Visual exploration of structure–activity relationship using maximum common framework

(2008) Sung Jin Cho et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Detection and Assignment of Common Scaffolds in Project Databases of Lead Molecules

(2008) Alex M. Clark et al.   JOURNAL OF MEDICINAL CHEMISTRY

Scaffold diversity of natural products: inspiration for combinatorial library design

(2008) Kristina Grabowski et al.   NATURAL PRODUCT REPORTS