| Global mapping of pharmacological space GV Paolini, RHB Shapland, WP van Hoorn, JS Mason, AL Hopkins Nature biotechnology 24 (7), 805-815, 2006 | 914 | 2006 |
| Rapid Discovery of a Novel Series of Abl Kinase Inhibitors by Application of an Integrated Microfluidic Synthesis and Screening Platform B Desai, K Dixon, E Farrant, Q Feng, KR Gibson, WP van Hoorn, J Mills, ... Journal of Medicinal Chemistry 56 (7), 3033–3047, 2013 | 155 | 2013 |
| Pathways for conformational interconversion of calix [4] arenes S Fischer, PDJ Grootenhuis, LC Groenen, WP van Hoorn, ... Journal of the American Chemical Society 117 (5), 1611-1620, 1995 | 110 | 1995 |
| Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics WF Lau, JM Withka, D Hepworth, TV Magee, YJ Du, GA Bakken, ... Journal of computer-aided molecular design 25, 621-636, 2011 | 79 | 2011 |
| An organic molecule with a rigid cavity of nanosize dimensions P Timmerman, W Verboom, FCJM van Veggel, WP van Hoorn, ... Angewandte Chemie International Edition in English 33 (12), 1292-1295, 1994 | 77 | 1994 |
| Conformational distribution of tetramethoxycalix [4] arenes by molecular modeling and NMR spectroscopy: A study of apolar solvation WP van Hoorn, WJ Briels, JPM van Duynhoven, FCJM van Veggel, ... The Journal of Organic Chemistry 63 (4), 1299-1308, 1998 | 64 | 1998 |
| Location of CD4 dimerization site explains critical role of CDR3-like region in HIV-1 infection and T-cell activation and implies a model for complex of coreceptor-MHC. JP Langedijk, WC Puijk, WP van Hoorn, RH Meloen Journal of Biological Chemistry 268 (23), 16875, 1993 | 62 | 1993 |
| Identification of a second binding site in the estrogen receptor WP van Hoorn Journal of medicinal chemistry 45 (3), 584-589, 2002 | 49 | 2002 |
| Selective anion complexation by a calix [4] pyrrole investigated by Monte Carlo simulations WP van Hoorn, WL Jorgensen The Journal of Organic Chemistry 64 (20), 7439-7444, 1999 | 47 | 1999 |
| Predicting cytotoxicity from heterogeneous data sources with Bayesian learning SR Langdon, J Mulgrew, GV Paolini, WP Van Hoorn Journal of cheminformatics 2, 1-18, 2010 | 39 | 2010 |
| The conformational distributions and interconversions of partially methylated calix [4] arenes WP van Hoorn, MGH Morshuis, FCJM van Veggel, DN Reinhoudt The Journal of Physical Chemistry A 102 (7), 1130-1138, 1998 | 38 | 1998 |
| Conformation of Hexahydroxycalix [6] arene WP van Hoorn, FCJM van Veggel, DN Reinhoudt The Journal of Organic Chemistry 61 (20), 7180-7184, 1996 | 38 | 1996 |
| The ELF Honest Data Broker: informatics enabling public–private collaboration in a precompetitive arena G Paillard, P Cochrane, PS Jones, WP Van Hoorn, A Caracoti, ... Drug Discovery Today 21 (1), 97-102, 2016 | 25 | 2016 |
| Designing compound subsets: comparison of random and rational approaches using statistical simulation SK Yeap, RJ Walley, M Snarey, WP van Hoorn, JS Mason Journal of chemical information and modeling 47 (6), 2149-2158, 2007 | 24 | 2007 |
| TAK 1 Inhibition in the DFG‐Out Conformation I Kilty, MP Green, AS Bell, DG Brown, PG Dodd, C Hewson, SJ Hughes, ... Chemical biology & drug design 82 (5), 500-505, 2013 | 22 | 2013 |
| Searching chemical space with the Bayesian Idea Generator WP van Hoorn, AS Bell Journal of chemical information and modeling 49 (10), 2211-2220, 2009 | 19 | 2009 |
| Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning M Mokaya, F Imrie, WP van Hoorn, A Kalisz, AR Bradley, CM Deane Nature Machine Intelligence 5 (4), 386-394, 2023 | 18 | 2023 |
| An open drug discovery competition: experimental validation of predictive models in a series of novel antimalarials EG Tse, L Aithani, M Anderson, J Cardoso-Silva, G Cincilla, GJ Conduit, ... Journal of Medicinal Chemistry 64 (22), 16450-16463, 2021 | 14 | 2021 |
| Hydrophobic concave surfaces and cavities by combination of calix [4] arenes and resorcin [4] arenes P Timmerman, KGA Nierop, EA Brinks, W Verboom, FCJM van Veggel, ... Chemistry–A European Journal 1 (2), 132-143, 1995 | 11 | 1995 |
| Theoretical study of the conformational isomerism of 2, 4, 6-substituted 1, 3, 5-trimethoxycalix [6] arenes WP van Hoorn, FCJM van Veggel, DN Reinhoudt The Journal of Physical Chemistry A 102 (33), 6676-6681, 1998 | 5 | 1998 |
Frank C.J.M. van VeggelUniversity of Victoria, Department of ChemistryVerified email at uvic.ca
