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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2007 2
2008 1
2009 2
2010 2
2011 2
2012 3
2013 3
2014 8
2015 8
2016 7
2017 5
2018 8
2019 9
2020 9
2021 12
2022 12
2023 5
2024 5

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88 results

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Page 1
Comprehensive analysis of commercial fragment libraries.
Revillo Imbernon J, Jacquemard C, Bret G, Marcou G, Kellenberger E. Revillo Imbernon J, et al. Among authors: marcou g. RSC Med Chem. 2021 Dec 24;13(3):300-310. doi: 10.1039/d1md00363a. eCollection 2022 Mar 23. RSC Med Chem. 2021. PMID: 35434627 Free PMC article.
A community effort in SARS-CoV-2 drug discovery.
Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane MB, Bousquet-Melou P, Bureau R, Charton B, Cirou BC, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Itsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-Zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang KYJ, Bengio E, Bengio Y, Jain MJ, Korablyov M, Liu CH, Marcou G, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade RC, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann… See abstract for full author list ➔ Schimunek J, et al. Among authors: marcou g. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243
DMSO Solubility Assessment for Fragment-Based Screening.
Baybekov S, Marcou G, Ramos P, Saurel O, Galzi JL, Varnek A. Baybekov S, et al. Among authors: marcou g. Molecules. 2021 Jun 28;26(13):3950. doi: 10.3390/molecules26133950. Molecules. 2021. PMID: 34203441 Free PMC article.
CATMoS: Collaborative Acute Toxicity Modeling Suite.
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash AH, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo DP, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC. Mansouri K, et al. Among authors: marcou g. Environ Health Perspect. 2021 Apr;129(4):47013. doi: 10.1289/EHP8495. Epub 2021 Apr 30. Environ Health Perspect. 2021. PMID: 33929906 Free PMC article.
Generative topographic mapping in drug design.
Horvath D, Marcou G, Varnek A. Horvath D, et al. Among authors: marcou g. Drug Discov Today Technol. 2019 Dec;32-33:99-107. doi: 10.1016/j.ddtec.2020.06.003. Epub 2020 Jun 30. Drug Discov Today Technol. 2019. PMID: 33386101
Molecular Similarity Perception Based on Machine-Learning Models.
Gandini E, Marcou G, Bonachera F, Varnek A, Pieraccini S, Sironi M. Gandini E, et al. Among authors: marcou g. Int J Mol Sci. 2022 May 30;23(11):6114. doi: 10.3390/ijms23116114. Int J Mol Sci. 2022. PMID: 35682792 Free PMC article.
Chemography: Searching for Hidden Treasures.
Zabolotna Y, Lin A, Horvath D, Marcou G, Volochnyuk DM, Varnek A. Zabolotna Y, et al. Among authors: marcou g. J Chem Inf Model. 2021 Jan 25;61(1):179-188. doi: 10.1021/acs.jcim.0c00936. Epub 2020 Dec 17. J Chem Inf Model. 2021. PMID: 33334102
Exploration of the Chemical Space of DNA-encoded Libraries.
Pikalyova R, Zabolotna Y, Volochnyuk DM, Horvath D, Marcou G, Varnek A. Pikalyova R, et al. Among authors: marcou g. Mol Inform. 2022 Jun;41(6):e2100289. doi: 10.1002/minf.202100289. Epub 2022 Jan 28. Mol Inform. 2022. PMID: 34981643 Free article.
Toward in Silico Modeling of Dynamic Combinatorial Libraries.
Casciuc I, Osypenko A, Kozibroda B, Horvath D, Marcou G, Bonachera F, Varnek A, Lehn JM. Casciuc I, et al. Among authors: marcou g. ACS Cent Sci. 2022 Jun 22;8(6):804-813. doi: 10.1021/acscentsci.2c00048. Epub 2022 May 27. ACS Cent Sci. 2022. PMID: 35756377 Free PMC article.
88 results