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Highly predictive and interpretable models for PAMPA permeability.
Sun H, Nguyen K, Kerns E, Yan Z, Yu KR, Shah P, Jadhav A, Xu X. Sun H, et al. Among authors: xu x. Bioorg Med Chem. 2017 Feb 1;25(3):1266-1276. doi: 10.1016/j.bmc.2016.12.049. Epub 2016 Dec 31. Bioorg Med Chem. 2017. PMID: 28082071 Free PMC article.
Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity.
Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ. Yang SM, et al. Among authors: xu x. J Med Chem. 2018 Jun 14;61(11):4883-4903. doi: 10.1021/acs.jmedchem.8b00270. Epub 2018 May 31. J Med Chem. 2018. PMID: 29767973 Free PMC article.
Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Yang SM, Urban DJ, Yoshioka M, Strovel JW, Fletcher S, Wang AQ, Xu X, Shah P, Hu X, Hall MD, Jadhav A, Maloney DJ. Yang SM, et al. Among authors: xu x. Bioorg Med Chem Lett. 2018 Nov 15;28(21):3483-3488. doi: 10.1016/j.bmcl.2018.08.039. Epub 2018 Aug 31. Bioorg Med Chem Lett. 2018. PMID: 30268702 Free PMC article.
Validating ADME QSAR Models Using Marketed Drugs.
Siramshetty V, Williams J, Nguyễn ÐT, Neyra J, Southall N, Mathé E, Xu X, Shah P. Siramshetty V, et al. Among authors: xu x. SLAS Discov. 2021 Dec;26(10):1326-1336. doi: 10.1177/24725552211017520. Epub 2021 Jun 26. SLAS Discov. 2021. PMID: 34176369 Free article.
Discovery and Optimization of Pyrrolopyrimidine Derivatives as Selective Disruptors of the Perinucleolar Compartment, a Marker of Tumor Progression toward Metastasis.
Frankowski KJ, Patnaik S, Wang C, Southall N, Dutta D, De S, Li D, Dextras C, Lin YH, Bryant-Connah M, Davis D, Wang F, Wachsmuth LM, Shah P, Williams J, Kabir M, Zhu E, Baljinnyam B, Wang A, Xu X, Norton J, Ferrer M, Titus S, Simeonov A, Zheng W, Mathews Griner LA, Jadhav A, Aubé J, Henderson MJ, Rudloff U, Schoenen FJ, Huang S, Marugan JJ. Frankowski KJ, et al. Among authors: xu x. J Med Chem. 2022 Jun 23;65(12):8303-8331. doi: 10.1021/acs.jmedchem.2c00204. Epub 2022 Jun 13. J Med Chem. 2022. PMID: 35696646 Free PMC article.
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