| Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME RC Glen, A Bender, CH Arnby, L Carlsson, S Boyer, J Smith IDrugs 9 (3), 199, 2006 | 295 | 2006 |
| Introducing conformal prediction in predictive modeling. A transparent and flexible alternative to applicability domain determination U Norinder, L Carlsson, S Boyer, M Eklund Journal of chemical information and modeling 54 (6), 1596-1603, 2014 | 206 | 2014 |
| Enzymatic basis for the transesterification of cocaine in the presence of ethanol: evidence for the participation of microsomal carboxylesterases. CS Boyer, DR Petersen Journal of Pharmacology and Experimental Therapeutics 260 (3), 939-946, 1992 | 176 | 1992 |
| CoMPARA: collaborative modeling project for androgen receptor activity K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ... Environmental Health Perspectives 128 (2), 027002, 2020 | 159 | 2020 |
| Illuminating drug discovery with biological pathways G Apic, T Ignjatovic, S Boyer, RB Russell FEBS letters 579 (8), 1872-1877, 2005 | 152 | 2005 |
| Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities A Sutter, A Amberg, S Boyer, A Brigo, JF Contrera, LL Custer, KL Dobo, ... Regulatory Toxicology and Pharmacology 67 (1), 39-52, 2013 | 141 | 2013 |
| A crowdsourcing evaluation of the NIH chemical probes TI Oprea, CG Bologa, S Boyer, RF Curpan, RC Glen, AL Hopkins, ... Nature chemical biology 5 (7), 441-447, 2009 | 140 | 2009 |
| Choosing feature selection and learning algorithms in QSAR M Eklund, U Norinder, S Boyer, L Carlsson Journal of Chemical Information and Modeling 54 (3), 837-843, 2014 | 128 | 2014 |
| Reaction site mapping of xenobiotic biotransformations S Boyer, CH Arnby, L Carlsson, J Smith, V Stein, RC Glen Journal of chemical information and modeling 47 (2), 583-590, 2007 | 123 | 2007 |
| Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data CL Gavaghan, CH Arnby, N Blomberg, G Strandlund, S Boyer Journal of computer-aided molecular design 21, 189-206, 2007 | 121 | 2007 |
| Selective antagonism of the NPY Y5 receptor does not have a major effect on feeding in rats AV Turnbull, L Ellershaw, DJ Masters, S Birtles, S Boyer, D Carroll, ... Diabetes 51 (8), 2441-2449, 2002 | 108 | 2002 |
| Ligand-based approach to in silico pharmacology: nuclear receptor profiling J Mestres, L Martín-Couce, E Gregori-Puigjané, M Cases, S Boyer Journal of chemical information and modeling 46 (6), 2725-2736, 2006 | 103 | 2006 |
| In vivo CYP3A4 heteroactivation is a possible mechanism for the drug interaction between felbamate and carbamazepine AC Egnell, B Houston, S Boyer Journal of Pharmacology and Experimental Therapeutics 305 (3), 1251-1262, 2003 | 102 | 2003 |
| The application of conformal prediction to the drug discovery process M Eklund, U Norinder, S Boyer, L Carlsson Annals of Mathematics and Artificial Intelligence 74, 117-132, 2015 | 96 | 2015 |
| Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse L Carlsson, O Spjuth, S Adams, RC Glen, S Boyer BMC bioinformatics 11, 1-7, 2010 | 94 | 2010 |
| Discovery and optimization of a series of carbazole ureas as NPY5 antagonists for the treatment of obesity MH Block, S Boyer, W Brailsford, DR Brittain, D Carroll, S Chapman, ... Journal of medicinal chemistry 45 (16), 3509-3523, 2002 | 91 | 2002 |
| Potentiation of cocaine‐mediated hepatotoxicity by acute and chronic ethanol CS Boyer, DR Petersen Alcoholism: Clinical and Experimental Research 14 (1), 28-31, 1990 | 91 | 1990 |
| Evidence for the activation of the signal-responsive phospholipase A2 by exogenous hydrogen peroxide CS Boyer, GL Bannenberg, EPA Neve, Å Ryrfeldt, P Moldéus Biochemical pharmacology 50 (6), 753-761, 1995 | 88 | 1995 |
| Behavioural toxicity assessment of silver ions and nanoparticles on zebrafish using a locomotion profiling approach G Ašmonaitė, S Boyer, KB de Souza, B Wassmur, J Sturve Aquatic Toxicology 173, 143-153, 2016 | 86 | 2016 |
| Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models MP Gleeson, AM Davis, KK Chohan, SW Paine, S Boyer, CL Gavaghan, ... Journal of computer-aided molecular design 21, 559-573, 2007 | 86 | 2007 |
