Extraction of SAR information from activity cliff clusters via matching molecular series

Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks

Paul Shannon, Andrew Markiel, Owen Ozier et al. · Genome Research · 2003 · 54.3K citations · Full text

Life Sciences, Bioinformatics, Molecular Biology +17

ChEMBL: a large-scale bioactivity database for drug discovery

Anna Gaulton, Louisa J. Bellis, A. Patrícia Bento et al. · Nucleic Acids Research · 2011 · 4.5K citations · Full text

Pharmacy, Bioinformatics, Chemical Biology +17

Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets

Jameed Hussain, Ceara Rea · Journal of Chemical Information and Modeling · 2010 · 443 citations

Natural Sciences, Bioinformatics, Chemistry +10

Exploring Activity Cliffs in Medicinal Chemistry

Dagmar Stumpfe, Jürgen Bajorath · Journal of Medicinal Chemistry · 2012 · 365 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +14

Matched Molecular Pairs as a Medicinal Chemistry Tool

Ed Griffen, Andrew G. Leach, Graeme R. Robb et al. · Journal of Medicinal Chemistry · 2011 · 287 citations

Pharmacy, Medicinal Chemistry, Oncology +7