Yang Z - Search Results

1

Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications.

Yang Z, Shi S, Fu L, Lu A, Hou T, Cao D. Yang Z, et al. J Med Chem. 2023 Apr 13;66(7):4361-4377. doi: 10.1021/acs.jmedchem.2c01787. Epub 2023 Apr 4. J Med Chem. 2023. PMID: 37014039 Review.

2

Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery.

Yang ZY, Yang ZJ, Dong J, Wang LL, Zhang LX, Ding JJ, Ding XQ, Lu AP, Hou TJ, Cao DS. Yang ZY, et al. J Chem Inf Model. 2019 Sep 23;59(9):3714-3726. doi: 10.1021/acs.jcim.9b00541. Epub 2019 Aug 27. J Chem Inf Model. 2019. PMID: 31430151

3

Application of Negative Design To Design a More Desirable Virtual Screening Library.

Yang ZY, He JH, Lu AP, Hou TJ, Cao DS. Yang ZY, et al. J Med Chem. 2020 May 14;63(9):4411-4429. doi: 10.1021/acs.jmedchem.9b01476. Epub 2020 Jan 27. J Med Chem. 2020. PMID: 31928004 Review.

4

Frequent hitters: nuisance artifacts in high-throughput screening.

Yang ZY, He JH, Lu AP, Hou TJ, Cao DS. Yang ZY, et al. Drug Discov Today. 2020 Apr;25(4):657-667. doi: 10.1016/j.drudis.2020.01.014. Epub 2020 Jan 24. Drug Discov Today. 2020. PMID: 31987936 Review.

5

Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays.

Yang ZY, Dong J, Yang ZJ, Lu AP, Hou TJ, Cao DS. Yang ZY, et al. J Chem Inf Model. 2020 Apr 27;60(4):2031-2043. doi: 10.1021/acs.jcim.9b01188. Epub 2020 Mar 30. J Chem Inf Model. 2020. PMID: 32202787

6

Scopy: an integrated negative design python library for desirable HTS/VS database design.

Yang ZY, Yang ZJ, Lu AP, Hou TJ, Cao DS. Yang ZY, et al. Brief Bioinform. 2021 May 20;22(3):bbaa194. doi: 10.1093/bib/bbaa194. Brief Bioinform. 2021. PMID: 32892221

7

ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds.

Yang ZY, Dong J, Yang ZJ, Yin M, Jiang HL, Lu AP, Chen X, Hou TJ, Cao DS. Yang ZY, et al. Brief Bioinform. 2021 Jul 20;22(4):bbaa282. doi: 10.1093/bib/bbaa282. Brief Bioinform. 2021. PMID: 33201188

8

QSAR-assisted-MMPA to expand chemical transformation space for lead optimization.

Fu L, Yang ZY, Yang ZJ, Yin MZ, Lu AP, Chen X, Liu S, Hou TJ, Cao DS. Fu L, et al. Brief Bioinform. 2021 Sep 2;22(5):bbaa374. doi: 10.1093/bib/bbaa374. Brief Bioinform. 2021. PMID: 33418563

9

Benchmarking the mechanisms of frequent hitters: limitation of PAINS alerts.

Yang ZY, Yang ZJ, He JH, Lu AP, Liu S, Hou TJ, Cao DS. Yang ZY, et al. Drug Discov Today. 2021 Jun;26(6):1353-1358. doi: 10.1016/j.drudis.2021.02.003. Epub 2021 Feb 10. Drug Discov Today. 2021. PMID: 33581116 Review.

10

PySmash: Python package and individual executable program for representative substructure generation and application.

Yang ZY, Yang ZJ, Zhao Y, Yin MZ, Lu AP, Chen X, Liu S, Hou TJ, Cao DS. Yang ZY, et al. Brief Bioinform. 2021 Sep 2;22(5):bbab017. doi: 10.1093/bib/bbab017. Brief Bioinform. 2021. PMID: 33709154

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