Smiles2Monomers: a link between chemical and biological structures for polymers

Evolutions in fragment-based drug design: the deconstruction–reconstruction approach

(2015) Haijun Chen et al.   DRUG DISCOVERY TODAY

molBLOCKS: decomposing small molecule sets and uncovering enriched fragments

(2014) Dario Ghersi et al.   BIOINFORMATICS

The chemical component dictionary: complete descriptions of constituent molecules in experimentally determined 3D macromolecules in the Protein Data Bank

(2014) John D. Westbrook et al.   BIOINFORMATICS

HubAlign: an accurate and efficient method for global alignment of protein–protein interaction networks

(2014) Somaye Hashemifar et al.   BIOINFORMATICS

Prediction of New Bioactive Molecules using a Bayesian Belief Network

(2014) Ammar Abdo et al.   Journal of Chemical Information and Modeling

Small molecule annotation for the Protein Data Bank

(2014) S. Sen et al.   Database-The Journal of Biological Databases and Curation

Improving the representation of peptide-like inhibitor and antibiotic molecules in the Protein Data Bank

(2013) Shuchismita Dutta et al.   BIOPOLYMERS

QSAR Modeling: Where Have You Been? Where Are You Going To?

(2013) Artem Cherkasov et al.   JOURNAL OF MEDICINAL CHEMISTRY

Build-Up Algorithm for Atomic Correspondence between Chemical Structures

(2011) Takeshi Kawabata   Journal of Chemical Information and Modeling

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Maximum common subgraph isomorphism algorithms and their applications in molecular science: a review

(2011) Hans-Christian Ehrlich et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods

(2010) Kyaw Zeyar Myint et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structural pattern matching of nonribosomal peptides

(2009) Ségolène Caboche et al.   BMC STRUCTURAL BIOLOGY

Small Molecule Subgraph Detector (SMSD) toolkit

(2009) Syed Rahman et al.   Journal of Cheminformatics

On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces

(2008) Jörg Degen et al.   ChemMedChem