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List of works by Tiejun Cheng

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

scientific article published on 17 April 2010

Automatic perception of organic molecules based on essential structural information.

scientific article published on 27 May 2007

Binary classification of aqueous solubility using support vector machines with reduction and recombination feature selection

scientific article

Characterizing protein domain associations by Small-molecule ligand binding ⬇️

scientific article published on December 3, 2012

Comparative assessment of scoring functions on a diverse test set.

scientific article published in April 2009

Computation of octanol-water partition coefficients by guiding an additive model with knowledge

scientific article

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

scientific article published in August 2010

FSelector: a Ruby gem for feature selection

scientific article

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

scientific article published on 17 January 2007

Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining

scientific article

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

scientific article (publication date: 15 November 2010)

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

scientific article

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

scientific article

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

scientific article published on 09 August 2019

Pathway analysis for drug repositioning based on public database mining

scientific article (publication date: 24 February 2014)

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

scientific article

PubChem 2019 update: improved access to chemical data

scientific article published on 26 October 2018

PubChem 2023 update

scientific article published on 28 October 2022

PubChem 2025 update

scientific article published on 18 November 2024

PubChem BioAssay: 2014 update

scientific article

PubChem BioAssay: 2017 update

scientific article

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

article

PubChem applications in drug discovery: a bibliometric analysis

scientific article

PubChem as a public resource for drug discovery

scientific article (publication date: December 2010)

Structure-based virtual screening for drug discovery: a problem-centric review

scientific article

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

scientific article

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

scientific article published on 21 October 2022

Total synthesis of clavepictines A and B and pictamine

scientific article published on 01 July 2006

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