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Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection.
Commun Biol. 2022 Aug 23;5(1):858. doi: 10.1038/s42003-022-03763-5.
Commun Biol. 2022.
PMID: 35999457
Free PMC article.
Comparison of Chemical Structure and Cell Morphology Information for Multitask Bioactivity Predictions.
Trapotsi MA, Mervin LH, Afzal AM, Sturm N, Engkvist O, Barrett IP, Bender A.
Trapotsi MA, et al.
J Chem Inf Model. 2021 Mar 22;61(3):1444-1456. doi: 10.1021/acs.jcim.0c00864. Epub 2021 Mar 4.
J Chem Inf Model. 2021.
PMID: 33661004
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Computational analyses of mechanism of action (MoA): data, methods and integration.
Trapotsi MA, Hosseini-Gerami L, Bender A.
Trapotsi MA, et al.
RSC Chem Biol. 2021 Dec 22;3(2):170-200. doi: 10.1039/d1cb00069a. eCollection 2022 Feb 9.
RSC Chem Biol. 2021.
PMID: 35360890
Free PMC article.
Review.
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Probabilistic Random Forest improves bioactivity predictions close to the classification threshold by taking into account experimental uncertainty.
Mervin LH, Trapotsi MA, Afzal AM, Barrett IP, Bender A, Engkvist O.
Mervin LH, et al. Among authors: trapotsi ma.
J Cheminform. 2021 Aug 19;13(1):62. doi: 10.1186/s13321-021-00539-7.
J Cheminform. 2021.
PMID: 34412708
Free PMC article.
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Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature.
Trapotsi MA, Mouchet E, Williams G, Monteverde T, Juhani K, Turkki R, Miljković F, Martinsson A, Mervin L, Pryde KR, Müllers E, Barrett I, Engkvist O, Bender A, Moreau K.
Trapotsi MA, et al.
ACS Chem Biol. 2022 Jul 15;17(7):1733-1744. doi: 10.1021/acschembio.2c00076. Epub 2022 Jul 6.
ACS Chem Biol. 2022.
PMID: 35793809
Free PMC article.
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Unistrand piRNA clusters are an evolutionarily conserved mechanism to suppress endogenous retroviruses across the Drosophila genus.
van Lopik J, Alizada A, Trapotsi MA, Hannon GJ, Bornelöv S, Czech Nicholson B.
van Lopik J, et al. Among authors: trapotsi ma.
Nat Commun. 2023 Nov 13;14(1):7337. doi: 10.1038/s41467-023-42787-1.
Nat Commun. 2023.
PMID: 37957172
Free PMC article.
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Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.
Seal S, Yang H, Trapotsi MA, Singh S, Carreras-Puigvert J, Spjuth O, Bender A.
Seal S, et al. Among authors: trapotsi ma.
J Cheminform. 2023 Jun 2;15(1):56. doi: 10.1186/s13321-023-00723-x.
J Cheminform. 2023.
PMID: 37268960
Free PMC article.
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In silico prediction and biological assessment of novel angiogenesis modulators from traditional Chinese medicine.
Zhu Y, Yang H, Han L, Mervin LH, Hosseini-Gerami L, Li P, Wright P, Trapotsi MA, Liu K, Fan TP, Bender A.
Zhu Y, et al. Among authors: trapotsi ma.
Front Pharmacol. 2023 Feb 3;14:1116081. doi: 10.3389/fphar.2023.1116081. eCollection 2023.
Front Pharmacol. 2023.
PMID: 36817116
Free PMC article.
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