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  • 2006

  • Michal Vieth, Jeffrey J. Sutherland; Dependence of Molecular Properties on Proteomic Family for Marketed Oral Drugs; J. Med. Chem., 2006, 49, 3451-34531

  • Peter J. Meek, ZhiWei Liu, LiFeng Tian, Ching Y. Wang, William J. Welsh, Randy J. Zauhar; Shape Signatures: speeding up computer aided drug discovery; Drug Discovery Today, Vol. 11, No. 19/20, 2006, 895-904.

  • 2007

  • Christopher Southan, Peter Varkonyi, Sorel Muresan; Complementarity Between Public and Commercial Databases: New Opportunities in Medicinal Chemistry Informatics; Current Topics in Medicinal Chemistry, 2007, 7, 1502-1508.

  • Paul D. Leeson, Brian Springthorpe; The influence of drug-like concepts on decision-making in medicinal chemistry; Nature Reviews: Drug Discovery, 2007, 6, 881-890.

  • D Rognan; Chemogenomic approaches to rational drug design; British Journal of Pharmacology, 2007, 152, 38-52.

  • 2008

  • Alex M. Aronov, Brian McClain, Cameron Stuver Moody, Mark A. Murcko; Kinase-likeness and Kinase-Privileged Fragments: Toward Virtual Polypharmacology; J. Med. Chem., 2008, 51, 1214-1222.

  • Jonas Boström, Andrew Grant, edited by Raimund Mannhold; 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.

  • Sung Jin Cho, Yaxiong Sun; Visual exploration of structure-activity relationship using maximum common framework; J Comput Aided Mol Des., 2008, 22, 571-578.

  • 2009

  • 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; 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.

  • Hongming Chen, Ulf Borjesson, Ola Engkvist, Thierry Kogej, Mats A. Svensson, Niklas Blomberg, Dirk Weigelt, Jeremy N. Burrows, Tim Lange; ProSAR: A New Methodology for Combinatorial Library Design; J. Chem. Inf. Model., 2009, 49 (3), 603-614.

  • Josefin Rosen, Johan Gottfries, Sorel Muresan, Anders Backlund, Tudor I. Oprea; Novel Chemical Space Exploration via Natural Products; J. Med. Chem., 2009, 52 (7), 1953-1962.

  • Christopher Southan, Peter Varkonyi, Sorel Muresan; Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds; Journal of Cheminformatics, 2009, 1:10, 1-17.

  • Frank Lovering, Jack Bikker, Christine Humblet; Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success; J. Med. Chem., 2009, 52, 6752-6756.

  • Christian Tyrchan, Niklas Blomberg, Ola Engkvist, Thierry Kogej, Sorel Muresan; Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds; Bioorg. Med. Chem. Lett. 2009, 19 (24), 6943-6947.

  • 2011

  • Christopher Southan, Kiran Boppana, Sarma A.R.P. Jagarlapudi, Sorel Muresan; 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.

  • 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; 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.

  • Paul D. Leeson, Stephen A. St-Gallay; The influence of the 'organizational factor' on compound quality in drug discovery; Nature Reviews: Drug Discovery, 2011, 10, 749-765.

  • 2013

  • Christopher Southan, Peter Varkonyi, Kiran Boppana, Sarma A.R.P. Jagarlapudi, Sorel Muresan; Tracking 20 Years of Compound-to-Target Output from Literature and Patents; PLOS ONE, October 29, 2013.

  • 2014

  • Kiyoshi Hasegawa a, Kimito Funatsu; 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.

  • Aurelie Bornot, Carolyn Blackett, Ola Engkvist, Clare Murray, Claus Bendtsen; The Role of Historical Bioactivity Data in the Deconvolution of Phenotypic Screens; J Biomol Screen January 17, 2014 1087057113518966.

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