fmcsR: mismatch tolerant maximum common substructure searching in R

SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening

(2011) Xiaofeng Liu 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

ChemMine tools: an online service for analyzing and clustering small molecules

(2011) T. W. H. Backman et al.   NUCLEIC ACIDS RESEARCH

Optimal assignment methods for ligand-based virtual screening

(2009) Andreas Jahn et al.   Journal of Cheminformatics

Small Molecule Subgraph Detector (SMSD) toolkit

(2009) Syed Rahman et al.   Journal of Cheminformatics

ChemmineR: a compound mining framework for R

(2008) Y. Cao et al.   BIOINFORMATICS

A maximum common substructure-based algorithm for searching and predicting drug-like compounds

(2008) Yiqun Cao et al.   BIOINFORMATICS

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

(2008) Noel M O'Boyle et al.   Chemistry Central Journal

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