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Number of items: 32.
Article
Alghamdi, AH;
Munday, JC;
Campagnaro, GD;
Gurvic, D;
Svensson, F;
Okpara, CE;
Kumar, A;
... De Koning, HP; + view all
(2020)
Positively selected modifications in the pore of TbAQP2 allow pentamidine to enter Trypanosoma brucei.
Elife
, 9
, Article e56416. 10.7554/eLife.56416.
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Atkinson, Benjamin N;
Willis, Nicky J;
Zhao, Yuguang;
Patel, Chandni;
Frew, Sarah;
Costelloe, Kathryn;
Magno, Lorenza;
... Fish, Paul V; + view all
(2023)
Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
European Journal of Medicinal Chemistry
, 251
, Article 115132. 10.1016/j.ejmech.2023.115132.
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Atkinson, BN;
Steadman, D;
Mahy, W;
Zhao, Y;
Sipthorp, J;
Bayle, ED;
Svensson, F;
... Fish, PV; + view all
(2019)
Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors.
Bioorganic & Medicinal Chemistry Letters
, Article 126751. 10.1016/j.bmcl.2019.126751.
(In press).
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Bayle, ED;
Svensson, F;
Atkinson, BN;
Steadman, D;
Willis, NJ;
Woodward, HL;
Whiting, P;
... Fish, PV; + view all
(2021)
Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling.
Journal of Medicinal Chemistry
, 64
(8)
pp. 4289-4311.
10.1021/acs.jmedchem.0c01974.
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Dreiman, GHS;
Bictash, M;
Fish, PV;
Griffin, L;
Svensson, F;
(2020)
Changing the HTS Paradigm: AI-Driven Iterative Screening for Hit Finding.
SLAS Discovery
10.1177/2472555220949495.
(In press).
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Garcia de Lomana, Marina;
Svensson, Fredrik;
Volkamer, Andrea;
Mathea, Miriam;
Kirchmair, Johannes;
(2022)
Consideration of predicted small-molecule metabolites in computational toxicology.
Digital Discovery
10.1039/d1dd00018g.
(In press).
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Ji, C;
Svensson, F;
Zoufir, A;
Bender, A;
(2018)
eMolTox: prediction of molecular toxicity with confidence.
Bioinformatics
, 34
(14)
pp. 2508-2509.
10.1093/bioinformatics/bty135.
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Kalash, L;
Val, C;
Azuaje, J;
Loza, MI;
Svensson, F;
Zoufir, A;
Mervin, L;
... Bender, A; + view all
(2017)
Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases.
Journal of Cheminformatics
, 9
(1)
, Article 67. 10.1186/s13321-017-0249-4.
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Magno, L;
Bunney, TD;
Mead, E;
Svensson, F;
Bictash, MN;
(2021)
TREM2/PLCγ2 signalling in immune cells: function, structural insight, and potential therapeutic modulation.
Molecular Neurodegeneration
, 16
, Article 22. 10.1186/s13024-021-00436-5.
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Mahmoud, SY;
Svensson, F;
Zoufir, A;
Modos, D;
Afzal, AM;
Bender, A;
(2020)
Understanding Conditional Associations between ToxCast in Vitro Readouts and the Hepatotoxicity of Compounds Using Rule-Based Methods.
Chemical Research in Toxicology
, 33
(1)
pp. 137-153.
10.1021/acs.chemrestox.8b00382.
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Mahy, W;
Patel, M;
Steadman, D;
Woodward, HL;
Atkinson, BN;
Svensson, F;
Willis, NJ;
... Fish, PV; + view all
(2020)
Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
Journal of Medicinal Chemistry
, 63
(17)
pp. 9464-9483.
10.1021/acs.jmedchem.0c00660.
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Mahy, W;
Willis, NJ;
Zhao, Y;
Woodward, HL;
Svensson, F;
Sipthorp, J;
Vecchia, L;
... Fish, PV; + view all
(2020)
5-Phenyl-1,3,4-oxadiazol-2(3H)-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit.
Journal of Medicinal Chemistry
, 63
(21)
pp. 12942-12956.
10.1021/acs.jmedchem.0c01391.
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Mervin, LH;
Bulusu, KC;
Kalash, L;
Afzal, AM;
Svensson, F;
Firth, MA;
Barrett, I;
... Bender, A; + view all
(2018)
Orthologue chemical space and its influence on target prediction.
Bioinformatics
, 34
(1)
pp. 72-79.
10.1093/bioinformatics/btx525.
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Morger, A;
Garcia de Lomana, M;
Norinder, U;
Svensson, F;
Kirchmair, J;
Mathea, M;
Volkamer, A;
(2022)
Studying and mitigating the effects of data drifts on ML model performance at the example of chemical toxicity data.
Scientific Reports
, 12
, Article 7244. 10.1038/s41598-022-09309-3.
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Morger, A;
Svensson, F;
Arvidsson McShane, S;
Gauraha, N;
Norinder, U;
Spjuth, O;
Volkamer, A;
(2021)
Assessing the calibration in toxicological in vitro models with conformal prediction.
Journal of Cheminformatics
, 13
(1)
10.1186/s13321-021-00511-5.
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Norinder, U;
Spjuth, O;
Svensson, F;
(2021)
Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning.
Journal of Cheminformatics
, 13
(1)
, Article 77. 10.1186/s13321-021-00555-7.
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Norinder, U;
Spjuth, O;
Svensson, F;
(2020)
Using Predicted Bioactivity Profiles to Improve Predictive Modeling.
Journal of Chemical Information and Modeling
, 60
(6)
pp. 2830-2837.
10.1021/acs.jcim.0c00250.
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Safitri, D;
Harris, M;
Potter, H;
Yan Yeung, H;
Winfield, I;
Kopanitsa, L;
Svensson, F;
... Ladds, G; + view all
(2020)
Elevated intracellular cAMP concentration mediates growth suppression in glioma cells.
Biochemical Pharmacology
, 174
, Article 113823. 10.1016/j.bcp.2020.113823.
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Smit, IA;
Afzal, AM;
Allen, CHG;
Svensson, F;
Hanser, T;
Bender, A;
(2021)
Systematic Analysis of Protein Targets Associated with Adverse Events of Drugs from Clinical Trials and Postmarketing Reports.
Chemical Research in Toxicology
, 34
(2)
pp. 365-384.
10.1021/acs.chemrestox.0c00294.
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Steadman, D;
Atkinson, BN;
Zhao, Y;
Willis, NJ;
Frew, S;
Monaghan, A;
Patel, C;
... Svensson, F; + view all
(2021)
Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
Journal of Medicinal Chemistry
, 65
(1)
pp. 562-578.
10.1021/acs.jmedchem.1c01735.
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Svensson, F;
(2018)
WINDOW consortium: A path towards increased therapy efficacy against glioblastoma.
Drug Resistance Updates
, 40
pp. 17-24.
10.1016/j.drup.2018.10.001.
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Svensson, F;
Afzal, AM;
Norinder, U;
Bender, A;
(2018)
Maximizing gain in high-throughput screening using conformal prediction.
Journal of Cheminformatics
, 10
(7)
10.1186/s13321-018-0260-4.
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Svensson, F;
Aniceto, N;
Norinder, U;
Cortes-Ciriano, I;
Spjuth, O;
Carlsson, L;
Bender, A;
(2018)
Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty.
Journal of Chemical Information and Modeling
, 58
(5)
pp. 1132-1140.
10.1021/acs.jcim.8b00054.
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Svensson, F;
Norinder, U;
(2019)
Multitask Modeling with Confidence Using Matrix Factorization and Conformal Prediction.
Journal of Chemical Information and Modeling
, 59
(4)
pp. 1598-1604.
10.1021/acs.jcim.9b00027.
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Svensson, F;
Westerman, B;
Würdinger, T;
Bailey, D;
(2018)
GBM Drug Bank—a new resource for glioblastoma drug discovery and informatics research.
Neuro-Oncology
, 20
(12)
pp. 1680-1681.
10.1093/neuonc/noy122.
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Svensson, F;
Zanders, ED;
Bailey, DS;
(2019)
Therapy for glioblastoma: is it working?
[Review].
Drug Discovery Today
, 24
(5)
pp. 1193-1201.
10.1016/j.drudis.2019.03.008.
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Svensson, F;
Zoufir, A;
Mahmoud, S;
Afzal, AM;
Smit, I;
Giblin, KA;
Clements, PJ;
... Bender, A; + view all
(2018)
Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity.
Chemical Research in Toxicology
, 31
(11)
pp. 1119-1127.
10.1021/acs.chemrestox.8b00159.
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Willems, H;
De Cesco, S;
Svensson, F;
(2020)
Computational Chemistry on a Budget – Supporting Drug Discovery with Limited Resources.
Journal of Medicinal Chemistry
, 63
(18)
pp. 10158-10169.
10.1021/acs.jmedchem.9b02126.
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Willis, Nicky J;
Mahy, William;
Sipthorp, James;
Zhao, Yuguang;
Woodward, Hannah L;
Atkinson, Benjamin N;
Bayle, Elliott D;
... Fish, Paul V; + view all
(2022)
Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
Journal of Medicinal Chemistry
10.1021/acs.jmedchem.2c00162.
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Zhang, J;
Norinder, U;
Svensson, F;
(2021)
Deep Learning-Based Conformal Prediction of Toxicity.
Journal of Chemical Information and Modeling
, 61
(6)
pp. 2648-2657.
10.1021/acs.jcim.1c00208.
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Zhang, J;
Mucs, D;
Norinder, U;
Svensson, F;
(2019)
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity – Application to the Tox21 and Mutagenicity Datasets.
Journal of Chemical Information and Modeling
, 59
(10)
pp. 4150-4158.
10.1021/acs.jcim.9b00633.
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Zhao, Y;
Svensson, F;
Steadman, D;
Frew, S;
Monaghan, A;
Bictash, M;
Moreira, T;
... Jones, EY; + view all
(2021)
Structural Insights into Notum Covalent Inhibition.
Journal of Medicinal Chemistry
10.1021/acs.jmedchem.1c00701.
(In press).
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