Cao DS - Search Results

1

Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion.

Yang ZY, Fu L, Lu AP, Liu S, Hou TJ, Cao DS. Yang ZY, et al. Among authors: cao ds. J Cheminform. 2021 Nov 13;13(1):86. doi: 10.1186/s13321-021-00564-6. J Cheminform. 2021. PMID: 34774096 Free PMC article.

2

Large-scale prediction of drug-target interactions using protein sequences and drug topological structures.

Cao DS, Liu S, Xu QS, Lu HM, Huang JH, Hu QN, Liang YZ. Cao DS, et al. Anal Chim Acta. 2012 Nov 8;752:1-10. doi: 10.1016/j.aca.2012.09.021. Epub 2012 Sep 24. Anal Chim Acta. 2012. PMID: 23101647

3

Identification of terpenoids from Ephedra combining with accurate mass and in-silico retention indices.

He M, Yan J, Cao D, Liu S, Zhao C, Liang Y, Li Y, Zhang Z. He M, et al. Talanta. 2013 Jan 15;103:116-22. doi: 10.1016/j.talanta.2012.10.018. Epub 2012 Oct 12. Talanta. 2013. PMID: 23200366

4

Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approach.

Cao DS, Liang YZ, Deng Z, Hu QN, He M, Xu QS, Zhou GH, Zhang LX, Deng ZX, Liu S. Cao DS, et al. PLoS One. 2013;8(4):e57680. doi: 10.1371/journal.pone.0057680. Epub 2013 Apr 5. PLoS One. 2013. PMID: 23577055 Free PMC article.

5

Large-scale prediction of human kinase-inhibitor interactions using protein sequences and molecular topological structures.

Cao DS, Zhou GH, Liu S, Zhang LX, Xu QS, He M, Liang YZ. Cao DS, et al. Anal Chim Acta. 2013 Aug 20;792:10-8. doi: 10.1016/j.aca.2013.07.003. Epub 2013 Jul 10. Anal Chim Acta. 2013. PMID: 23910962

6

PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies.

Cao DS, Liang YZ, Yan J, Tan GS, Xu QS, Liu S. Cao DS, et al. J Chem Inf Model. 2013 Nov 25;53(11):3086-96. doi: 10.1021/ci400127q. Epub 2013 Oct 24. J Chem Inf Model. 2013. PMID: 24047419

7

ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation.

Dong J, Cao DS, Miao HY, Liu S, Deng BC, Yun YH, Wang NN, Lu AP, Zeng WB, Chen AF. Dong J, et al. Among authors: cao ds. J Cheminform. 2015 Dec 9;7:60. doi: 10.1186/s13321-015-0109-z. eCollection 2015. J Cheminform. 2015. PMID: 26664458 Free PMC article.

8

ADME Properties Evaluation in Drug Discovery: Prediction of Caco-2 Cell Permeability Using a Combination of NSGA-II and Boosting.

Wang NN, Dong J, Deng YH, Zhu MF, Wen M, Yao ZJ, Lu AP, Wang JB, Cao DS. Wang NN, et al. Among authors: cao ds. J Chem Inf Model. 2016 Apr 25;56(4):763-73. doi: 10.1021/acs.jcim.5b00642. Epub 2016 Apr 5. J Chem Inf Model. 2016. PMID: 27018227

9

TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models.

Yao ZJ, Dong J, Che YJ, Zhu MF, Wen M, Wang NN, Wang S, Lu AP, Cao DS. Yao ZJ, et al. Among authors: cao ds. J Comput Aided Mol Des. 2016 May;30(5):413-24. doi: 10.1007/s10822-016-9915-2. Epub 2016 May 11. J Comput Aided Mol Des. 2016. PMID: 27167132

10

BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.

Dong J, Yao ZJ, Wen M, Zhu MF, Wang NN, Miao HY, Lu AP, Zeng WB, Cao DS. Dong J, et al. Among authors: cao ds. J Cheminform. 2016 Jun 21;8:34. doi: 10.1186/s13321-016-0146-2. eCollection 2016. J Cheminform. 2016. PMID: 27330567 Free PMC article.

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