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Reinvent 4: Modern AI-driven generative molecule design.
Loeffler HH, He J, Tibo A, Janet JP, Voronov A, Mervin LH, Engkvist O. Loeffler HH, et al. Among authors: mervin lh. J Cheminform. 2024 Feb 21;16(1):20. doi: 10.1186/s13321-024-00812-5. J Cheminform. 2024. PMID: 38383444 Free PMC article.
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.
Heyndrickx W, Mervin L, Morawietz T, Sturm N, Friedrich L, Zalewski A, Pentina A, Humbeck L, Oldenhof M, Niwayama R, Schmidtke P, Fechner N, Simm J, Arany A, Drizard N, Jabal R, Afanasyeva A, Loeb R, Verma S, Harnqvist S, Holmes M, Pejo B, Telenczuk M, Holway N, Dieckmann A, Rieke N, Zumsande F, Clevert DA, Krug M, Luscombe C, Green D, Ertl P, Antal P, Marcus D, Do Huu N, Fuji H, Pickett S, Acs G, Boniface E, Beck B, Sun Y, Gohier A, Rippmann F, Engkvist O, Göller AH, Moreau Y, Galtier MN, Schuffenhauer A, Ceulemans H. Heyndrickx W, et al. Among authors: mervin l. J Chem Inf Model. 2024 Apr 8;64(7):2331-2344. doi: 10.1021/acs.jcim.3c00799. Epub 2023 Aug 29. J Chem Inf Model. 2024. PMID: 37642660 Free PMC article.
Optimizing the Cell Painting assay for image-based profiling.
Cimini BA, Chandrasekaran SN, Kost-Alimova M, Miller L, Goodale A, Fritchman B, Byrne P, Garg S, Jamali N, Logan DJ, Concannon JB, Lardeau CH, Mouchet E, Singh S, Shafqat Abbasi H, Aspesi P Jr, Boyd JD, Gilbert T, Gnutt D, Hariharan S, Hernandez D, Hormel G, Juhani K, Melanson M, Mervin LH, Monteverde T, Pilling JE, Skepner A, Swalley SE, Vrcic A, Weisbart E, Williams G, Yu S, Zapiec B, Carpenter AE. Cimini BA, et al. Among authors: mervin lh. Nat Protoc. 2023 Jul;18(7):1981-2013. doi: 10.1038/s41596-023-00840-9. Epub 2023 Jun 21. Nat Protoc. 2023. PMID: 37344608 Review.
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. Among authors: mervin l. 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.
Synthesis and SAR of novel GPR39 agonists and positive allosteric modulators.
Burley R, Hewer RC, Teall M, Dickson L, Ossola B, Russell S, Bender C, Cheung T, Powell JAC, Xu X, Brice NL, Otter L, Arimont M, Kidd SL, Vidal D, Dale JW, Mervin L, Sore HF, Mateu N, Lakshminarayana N, Dawson LA, Carlton M, Bürli RW. Burley R, et al. Among authors: mervin l. Bioorg Med Chem Lett. 2022 Apr 1;61:128607. doi: 10.1016/j.bmcl.2022.128607. Epub 2022 Feb 3. Bioorg Med Chem Lett. 2022. PMID: 35123006
27 results