| 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 | 298 | 2006 |
| In silico toxicology protocols GJ Myatt, E Ahlberg, Y Akahori, D Allen, A Amberg, LT Anger, A Aptula, ... Regulatory Toxicology and Pharmacology 96, 1-17, 2018 | 229 | 2018 |
| State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications L Afzelius, C Hasselgren Arnby, A Broo, L Carlsson, C Isaksson, U Jurva, ... Drug metabolism reviews 39 (1), 61-86, 2007 | 153 | 2007 |
| Questions for crystal engineering of halocuprate complexes: concepts for a difficult system CH Arnby, S Jagner, I Dance CrystEngComm 6 (46), 257-275, 2004 | 150 | 2004 |
| 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 |
| Principles and procedures for implementation of ICH M7 recommended (Q) SAR analyses A Amberg, L Beilke, J Bercu, D Bower, A Brigo, KP Cross, L Custer, ... Regulatory Toxicology and Pharmacology 77, 13-24, 2016 | 113 | 2016 |
| In silico methods combined with expert knowledge rule out mutagenic potential of pharmaceutical impurities: an industry survey KL Dobo, N Greene, C Fred, S Glowienke, JS Harvey, C Hasselgren, ... Regulatory toxicology and pharmacology 62 (3), 449-455, 2012 | 91 | 2012 |
| 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 |
| Artificial intelligence for drug discovery: Are we there yet? C Hasselgren, TI Oprea Annual Review of Pharmacology and Toxicology 64 (1), 527-550, 2024 | 79 | 2024 |
| Explanation for main features of structure–genotoxicity relationships of aromatic amines by theoretical studies of their activation pathways in CYP1A2 I Shamovsky, L Ripa, L Borjesson, C Mee, B Nordén, P Hansen, ... Journal of the American Chemical Society 133 (40), 16168-16185, 2011 | 77 | 2011 |
| Genetic toxicology in silico protocol C Hasselgren, E Ahlberg, Y Akahori, A Amberg, LT Anger, F Atienzar, ... Regulatory Toxicology and Pharmacology 107, 104403, 2019 | 71 | 2019 |
| Assessment of machine learning reliability methods for quantifying the applicability domain of QSAR regression models M Toplak, R Močnik, M Polajnar, Z Bosnić, L Carlsson, C Hasselgren, ... Journal of chemical information and modeling 54 (2), 431-441, 2014 | 68 | 2014 |
| Understanding genetic toxicity through data mining: the process of building knowledge by integrating multiple genetic toxicity databases C Yang, CH Hasselgren, S Boyer, K Arvidson, S Aveston, P Dierkes, ... Toxicology mechanisms and methods 18 (2-3), 277-295, 2008 | 59 | 2008 |
| Synchronous down-modulation of miR-17 family members is an early causative event in the retinal angiogenic switch DN Nunes, E Dias-Neto, M Cardó-Vila, JK Edwards, AS Dobroff, ... Proceedings of the National Academy of Sciences 112 (12), 3770-3775, 2015 | 49 | 2015 |
| Skin sensitization in silico protocol C Johnson, E Ahlberg, LT Anger, L Beilke, R Benigni, J Bercu, S Bobst, ... Regulatory Toxicology and Pharmacology 116, 104688, 2020 | 46 | 2020 |
| Towards in vitro models for reducing or replacing the use of animals in drug testing DM Stresser, AK Kopec, P Hewitt, RN Hardwick, TR Van Vleet, ... Nature Biomedical Engineering 8 (8), 930-935, 2024 | 44 | 2024 |
| A critical assessment of modeling safety-related drug attrition D Muthas, S Boyer, C Hasselgren MedChemComm 4 (7), 1058-1065, 2013 | 44 | 2013 |
| Three‐Coordinate [CuIIX3]− (X=Cl, Br), Trapped in a Molecular Crystal C Hasselgren, S Jagner, I Dance Chemistry–A European Journal 8 (6), 1269-1278, 2002 | 44 | 2002 |
| Principles and procedures for handling out-of-domain and indeterminate results as part of ICH M7 recommended (Q) SAR analyses A Amberg, RV Andaya, LT Anger, C Barber, L Beilke, J Bercu, D Bower, ... Regulatory toxicology and pharmacology 102, 53-64, 2019 | 25 | 2019 |
Tudor OpreaCEO, Expert Systems IncVerified email at expertsystems.inc
