Tiejun Cheng

发表

PubChem as a public resource for drug discovery.

S. Bryant, Qingliang Li, Tiejun Cheng, 2010, Drug discovery today.

PubChem BioAssay: 2014 update

Yanli Wang, Jian Zhang, Benjamin A. Shoemaker, 2013, Nucleic Acids Res..

PubChem in 2021: new data content and improved web interfaces

Benjamin A. Shoemaker, Evan E. Bolton, Qingliang Li, 2020, Nucleic Acids Res..

Studying the Parkinson’s disease metabolome and exposome in biological samples through different analytical and cheminformatics approaches: a pilot study

Emma L. Schymanski, Evan E. Bolton, Randolph R. Singh, 2022, Analytical and Bioanalytical Chemistry.

Web search and data mining of natural products and their bioactivities in PubChem

Tiejun Cheng, Yanli Wang, Ming Hao, 2013, Science China Chemistry.

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Benjamin A. Shoemaker, Emma L. Schymanski, Evan E. Bolton, 2022, Environmental Sciences Europe.

Total synthesis of clavepictines A and B and pictamine.

Tiejun Cheng, Renxiao Wang, Shanghai Yu, 2006, Organic letters.

Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge

Yuan Zhao, Yong Xu, Yan Li, 2007, J. Chem. Inf. Model..

Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes

Zhihai Liu, Yan Li, Xun Li, 2010, J. Comput. Chem..

PubChem 2019 update: improved access to chemical data

Evan Bolton, Bo Yu, Jie Chen, 2018, Nucleic Acids Res..

Literature information in PubChem: associations between PubChem records and scientific articles

Evan Bolton, Yanli Wang, Bo Yu, 2016, Journal of Cheminformatics.

PubChem BioAssay: 2017 update

Yanli Wang, Jian Zhang, Benjamin A. Shoemaker, 2016, Nucleic Acids Res..

Characterizing protein domain associations by Small-molecule ligand binding.

Tiejun Cheng, Stephen H Bryant, Qingliang Li, 2012, Journal of proteome science and computational biology.

Enhancing the interoperability of glycan data flow between ChEBI, PubChem, and GlyGen

Jeet K. Vora, R. Mazumder, Tiejun Cheng, 2021, bioRxiv.

Automatic Perception of Organic Molecules Based on Essential Structural Information.

Tiejun Cheng, Renxiao Wang, Tiejun Cheng, 2007 .

PubChem applications in drug discovery: a bibliometric analysis.

Yanli Wang, Tiejun Cheng, Stephen H Bryant, 2014, Drug discovery today.

Predicting drug–drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledge

Yanli Wang, Ming Hao, Stephen H. Bryant, 2017, Journal of Cheminformatics.

Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review

S. Bryant, Qingliang Li, Tiejun Cheng, 2012, The AAPS Journal.

An update on PUG-REST: RESTful interface for programmatic access to PubChem

Evan Bolton, Bo Yu, Tiejun Cheng, 2018, Nucleic Acids Res..

Discovering and Summarizing Relationships Between Chemicals, Genes, Proteins, and Diseases in PubChem

Tiejun Cheng, Sunghwan Kim, Leonid Zaslavsky, 2021, Frontiers in Research Metrics and Analytics.

Investigating the correlations among the chemical structures, bioactivity profiles and molecular targets of small molecules

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2010, Bioinform..

Pathway Analysis for Drug Repositioning Based on Public Database Mining

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2014, J. Chem. Inf. Model..

iCn3D: From Web-Based 3D Viewer to Structural Analysis Tool in Batch Mode

Gabriele H. Marchler, A. Marchler-Bauer, T. Madej, 2021, bioRxiv.

Plant Reactome: a knowledgebase and resource for comparative pathway analysis

Evan Bolton, Irene Papatheodorou, Tiejun Cheng, 2019, Nucleic Acids Res..

Comparative Assessment of Scoring Functions on a Diverse Test Set

Zhihai Liu, Yan Li, Xun Li, 2009, J. Chem. Inf. Model..

Supporting precision medicine by data mining across multi‐disciplines: an integrative approach for generating comprehensive linkages between single nucleotide variants (SNVs) and drug‐binding sites

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2017, Bioinform..

PubChem Protein, Gene, Pathway, and Taxonomy Data Collections: Bridging Biology and Chemistry through Target-Centric Views of PubChem Data.

Evan E. Bolton, Qingliang Li, Tiejun Cheng, 2022, Journal of molecular biology.

Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2011, J. Chem. Inf. Model..

Large-Scale Prediction of Drug-Target Interaction: a Data-Centric Review

S. Bryant, Tiejun Cheng, Yanli Wang, 2017, The AAPS Journal.

Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2011, J. Chem. Inf. Model..

PubChem 2023 update

Benjamin A. Shoemaker, Evan E. Bolton, Qingliang Li, 2022, Nucleic Acids Res..

FSelector: a Ruby gem for feature selection

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2012, Bioinform..

PUG-View: programmatic access to chemical annotations integrated in PubChem

Jian Zhang, Tiejun Cheng, Sunghwan Kim, 2019, Journal of Cheminformatics.

I-SOLV: a new surface-based empirical model for computing solvation free energies.

Tiejun Cheng, Renxiao Wang, Tiejun Cheng, 2007, Journal of molecular graphics & modelling.

PubChem BioAssay: A Decade’s Development toward Open High-Throughput Screening Data Sharing

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2017, SLAS discovery : advancing life sciences R & D.

A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

Zhihai Liu, Tiejun Cheng, Renxiao Wang, 2010, BMC Bioinformatics.

Automatic Perception of Organic Molecules Based on Essential Structural Information

Yuan Zhao, Tiejun Cheng, Renxiao Wang, 2007, J. Chem. Inf. Model..

Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review

Yanli Wang, Stephen H. Bryant, Tiejun Cheng, 2012, The AAPS Journal.

Pathway Analysis for Drug Repositioning Based on Public Database Mining

S. Bryant, Tiejun Cheng, Yanli Wang, 2014, J. Chem. Inf. Model..