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1 Tracking 20 Years of Compound-to-Target Output from Literature and Patents PLOS ONE, October 29, 2013 Christopher Southan, Peter Varkonyi, Kiran Boppana, Sarma A.R.P. Jagarlapudi, Sorel Muresan View Now
2 L-shaped PLS analysis ofmultiple inhibitory activities of adrenergic alpha receptors using ligand and protein matrices Chemometrics and Intelligent Laboratory Systems 130 (2014) 166-171 Kiyoshi Hasegawa a, Kimito Funatsu View Now
3 The Role of Historical Bioactivity Data in the Deconvolution of Phenotypic Screens J Biomol Screen January 17, 2014 1087057113518966 Aurelie Bornot, Carolyn Blackett, Ola Engkvist, Clare Murray, Claus Bendtsen View Now
4 The influence of the 'organizational factor' on compound quality in drug discovery Nature Reviews: Drug Discovery, 2011, 10, 749-765 Paul D. Leeson, Stephen A. St-Gallay View Now
5 Molecular clinical safety intelligence: a system for bridging clinically focused safety knowledge to early-stage drug discovery – the GSK experience Drug Discovery Today, Vol. 16, No. 15/16, 2011, 646-653 Dana E. Vanderwall, Nancy Yuen, Mohammad Al-Ansari, James Bailey, David Fram, Darren V.S. Green, Stephen Pickett, Giovanni Vitulli, Juan I. Luengo, June S. Almenoff View Now
6 Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds Journal of Cheminformatics 2011, 3:14 Christopher Southan, Kiran Boppana, Sarma A.R.P. Jagarlapudi, Sorel Muresan View Now
7 Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds Bioorg. Med. Chem. Lett. 2009, 19 (24), 6943-6947 Christian Tyrchan, Niklas Blomberg, Ola Engkvist, Thierry Kogej, Sorel Muresan View Now
8 Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success J. Med. Chem., 2009, 52, 6752-6756 Frank Lovering, Jack Bikker, Christine Humblet View Now
9 Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds Journal of Cheminformatics, 2009, 1:10, 1-17 Christopher Southan, Peter Varkonyi, Sorel Muresan View Now
10 Novel Chemical Space Exploration via Natural Products J. Med. Chem., 2009, 52 (7), 1953-1962 Josefin Rosen, Johan Gottfries, Sorel Muresan, Anders Backlund, Tudor I. Oprea View Now
11 ProSAR: A New Methodology for Combinatorial Library Design J. Chem. Inf. Model., 2009, 49 (3), 603-614 Hongming Chen, Ulf Borjesson, Ola Engkvist, Thierry Kogej, Mats A. Svensson, Niklas Blomberg, Dirk Weigelt, Jeremy N. Burrows, Tim Lange View Now
12 Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis J. Chem. Inf. Model., 2009, 49, 308-317 Josef Scheiber, Bin Chen, Mariusz Milik, Sai Chetan K. Sukuru, Andreas Bender, Dmitri Mikhailov, Steven Whitebread, Jacques Hamon, Kamal Azzaoui, Laszlo Urban, Meir Glick, John W. Davies, Jeremy L. Jenkins View Now
13 Visual exploration of structure-activity relationship using maximum common framework J Comput Aided Mol Des., 2008, 22, 571-578 Sung Jin Cho, Yaxiong Sun View Now
14 Molecular Drug Properties - Measurement and Prediction, Exploiting Ligand Conformations in Drug Design Book from Wiley InterScience, Volume 37, 2008 Wiley-VCH Verlag GmbH & Co. KGaA Jonas Boström, Andrew Grant, edited by Raimund Mannhold View Now
15 Chemogenomic approaches to rational drug design British Journal of Pharmacology, 2007, 152, 38-52 D Rognan View Now
16 Kinase-likeness and Kinase-Privileged Fragments: Toward Virtual Polypharmacology J. Med. Chem., 2008, 51, 1214-1222 Alex M. Aronov, Brian McClain, Cameron Stuver Moody, Mark A. Murcko View Now
17 The influence of drug-like concepts on decision-making in medicinal chemistry Nature Reviews: Drug Discovery, 2007, 6, 881-890 Paul D. Leeson, Brian Springthorpe View Now
18 Complementarity Between Public and Commercial Databases: New Opportunities in Medicinal Chemistry Informatics Current Topics in Medicinal Chemistry, 2007, 7, 1502-1508 Christopher Southan, Peter Varkonyi, Sorel Muresan View Now
19 Shape Signatures: speeding up computer aided drug discovery Drug Discovery Today, Vol. 11, No. 19/20, 2006, 895-904 Peter J. Meek, ZhiWei Liu, LiFeng Tian, Ching Y. Wang, William J. Welsh, Randy J. Zauhar View Now
20 Dependence of Molecular Properties on Proteomic Family for Marketed Oral Drugs J. Med. Chem., 2006, 49, 3451-3453 Michal Vieth, Jeffrey J. Sutherland View Now
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