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Algorithm for the Pruning of Synthesis Graphs.
Zahoránszky-Kőhalmi G, Lysov N, Vorontcov I, Wang J, Soundararajan J, Metaxotos D, Mathew B, Sarosh R, Michael SG, Godfrey AG. Zahoránszky-Kőhalmi G, et al. Among authors: michael sg. J Chem Inf Model. 2022 May 9;62(9):2226-2238. doi: 10.1021/acs.jcim.1c01202. Epub 2022 Apr 19. J Chem Inf Model. 2022. PMID: 35438992 Free PMC article.
Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space.
Kearney SE, Zahoránszky-Kőhalmi G, Brimacombe KR, Henderson MJ, Lynch C, Zhao T, Wan KK, Itkin Z, Dillon C, Shen M, Cheff DM, Lee TD, Bougie D, Cheng K, Coussens NP, Dorjsuren D, Eastman RT, Huang R, Iannotti MJ, Karavadhi S, Klumpp-Thomas C, Roth JS, Sakamuru S, Sun W, Titus SA, Yasgar A, Zhang YQ, Zhao J, Andrade RB, Brown MK, Burns NZ, Cha JK, Mevers EE, Clardy J, Clement JA, Crooks PA, Cuny GD, Ganor J, Moreno J, Morrill LA, Picazo E, Susick RB, Garg NK, Goess BC, Grossman RB, Hughes CC, Johnston JN, Joullie MM, Kinghorn AD, Kingston DGI, Krische MJ, Kwon O, Maimone TJ, Majumdar S, Maloney KN, Mohamed E, Murphy BT, Nagorny P, Olson DE, Overman LE, Brown LE, Snyder JK, Porco JA Jr, Rivas F, Ross SA, Sarpong R, Sharma I, Shaw JT, Xu Z, Shen B, Shi W, Stephenson CRJ, Verano AL, Tan DS, Tang Y, Taylor RE, Thomson RJ, Vosburg DA, Wu J, Wuest WM, Zakarian A, Zhang Y, Ren T, Zuo Z, Inglese J, Michael S, Simeonov A, Zheng W, Shinn P, Jadhav A, Boxer MB, Hall MD, Xia M, Guha R, Rohde JM. Kearney SE, et al. ACS Cent Sci. 2018 Dec 26;4(12):1727-1741. doi: 10.1021/acscentsci.8b00747. Epub 2018 Dec 5. ACS Cent Sci. 2018. PMID: 30648156 Free PMC article.
A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research.
Zahoránszky-Kőhalmi G, Siramshetty VB, Kumar P, Gurumurthy M, Grillo B, Mathew B, Metaxatos D, Backus M, Mierzwa T, Simon R, Grishagin I, Brovold L, Mathé EA, Hall MD, Michael SG, Godfrey AG, Mestres J, Jensen LJ, Oprea TI. Zahoránszky-Kőhalmi G, et al. Among authors: michael sg. bioRxiv [Preprint]. 2020 Nov 5:2020.11.04.369041. doi: 10.1101/2020.11.04.369041. bioRxiv. 2020. PMID: 33173863 Free PMC article. Updated. Preprint.
A Perspective on Innovating the Chemistry Lab Bench.
Godfrey AG, Michael SG, Sittampalam GS, Zahoránszky-Köhalmi G. Godfrey AG, et al. Among authors: michael sg. Front Robot AI. 2020 Feb 25;7:24. doi: 10.3389/frobt.2020.00024. eCollection 2020. Front Robot AI. 2020. PMID: 33501193 Free PMC article.
A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research.
Zahoránszky-Kőhalmi G, Siramshetty VB, Kumar P, Gurumurthy M, Grillo B, Mathew B, Metaxatos D, Backus M, Mierzwa T, Simon R, Grishagin I, Brovold L, Mathé EA, Hall MD, Michael SG, Godfrey AG, Mestres J, Jensen LJ, Oprea TI. Zahoránszky-Kőhalmi G, et al. Among authors: michael sg. J Chem Inf Model. 2022 Feb 14;62(3):718-729. doi: 10.1021/acs.jcim.1c00431. Epub 2022 Jan 20. J Chem Inf Model. 2022. PMID: 35057621 Free PMC article.
Retro Drug Design: From Target Properties to Molecular Structures.
Wang Y, Michael S, Yang SM, Huang R, Cruz-Gutierrez K, Zhang Y, Zhao J, Xia M, Shinn P, Sun H. Wang Y, et al. J Chem Inf Model. 2022 Jun 13;62(11):2659-2669. doi: 10.1021/acs.jcim.2c00123. Epub 2022 Jun 2. J Chem Inf Model. 2022. PMID: 35653613 Free PMC article. Review.
Retro Drug Design: From Target Properties to Molecular Structures.
Wang Y, Michael S, Huang R, Zhao J, Recabo K, Bougie D, Shu Q, Shinn P, Sun H. Wang Y, et al. bioRxiv [Preprint]. 2021 May 12:2021.05.11.442656. doi: 10.1101/2021.05.11.442656. bioRxiv. 2021. PMID: 34013260 Free PMC article. Updated. Preprint.
105 results