Catrin Hasselgren
Catrin Hasselgren
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Cited by
Cited by
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
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
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
Questions for crystal engineering of halocuprate complexes: concepts for a difficult system
CH Arnby, S Jagner, I Dance
CrystEngComm 6 (46), 257-275, 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
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
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
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
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
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
Genetic toxicology in silico protocol
C Hasselgren, E Ahlberg, Y Akahori, A Amberg, LT Anger, F Atienzar, ...
Regulatory Toxicology and Pharmacology 107, 104403, 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
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
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
A critical assessment of modeling safety-related drug attrition
D Muthas, S Boyer, C Hasselgren
MedChemComm 4 (7), 1058-1065, 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
Artificial intelligence for drug discovery: Are we there yet?
C Hasselgren, TI Oprea
Annual Review of Pharmacology and Toxicology 64 (1), 527-550, 2024
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
Dominant cation–cation supramolecular motifs in crystals. Hexagonal arrays of sextuple phenyl embraces in halometalate salts of MePh 3 P+
PAW Dean, ML Scudder, DC Craig, IG Dance
Journal of the Chemical Society, Dalton Transactions, 2019-2028, 1997
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
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