Dong-Sheng Cao
Orcid: 0000-0003-3604-3785Affiliations:
- Central South University, School of Pharmaceutical Sciences, Changsha, China
- Hong Kong Baptist University, School of Chinese Medicine, Hong Kong
According to our database1,
Dong-Sheng Cao
authored at least 78 papers
between 2010 and 2024.
Collaborative distances:
Collaborative distances:
Timeline
Legend:
Book In proceedings Article PhD thesis Dataset OtherLinks
Online presence:
-
on orcid.org
On csauthors.net:
Bibliography
2024
Comprehensive Review of Drug-Drug Interaction Prediction Based on Machine Learning: Current Status, Challenges, and Opportunities.
J. Chem. Inf. Model., January, 2024
2023
In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences.
J. Cheminformatics, December, 2023
J. Cheminformatics, December, 2023
Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction.
Briefings Bioinform., July, 2023
DKADE: a novel framework based on deep learning and knowledge graph for identifying adverse drug events and related medications.
Briefings Bioinform., July, 2023
J. Chem. Inf. Model., June, 2023
Graph deep learning enabled spatial domains identification for spatial transcriptomics.
Briefings Bioinform., May, 2023
Improved GNNs for Log <i>D</i><sub>7.4</sub> Prediction by Transferring Knowledge from Low-Fidelity Data.
J. Chem. Inf. Model., April, 2023
Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?
Briefings Bioinform., March, 2023
Briefings Bioinform., January, 2023
J. Chem. Inf. Model., 2023
Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence, 2023
2022
DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety.
Nucleic Acids Res., 2022
Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism.
J. Chem. Inf. Model., 2022
ALipSol: An Attention-Driven Mixture-of-Experts Model for Lipophilicity and Solubility Prediction.
J. Chem. Inf. Model., 2022
TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine.
J. Cheminformatics, 2022
J. Cheminformatics, 2022
Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes.
J. Cheminformatics, 2022
Bioinform., 2022
ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images.
Briefings Bioinform., 2022
BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution.
Briefings Bioinform., 2022
Knowledge-based BERT: a method to extract molecular features like computational chemists.
Briefings Bioinform., 2022
Briefings Bioinform., 2022
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation.
Briefings Bioinform., 2022
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning.
Briefings Bioinform., 2022
2021
<i>DeepChargePredictor</i>: a web server for predicting QM-based atomic charges via <i>state-of-the-art</i> machine-learning algorithms.
Bioinform., November, 2021
Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning.
Nat. Mach. Intell., 2021
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties.
Nucleic Acids Res., 2021
CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors.
Nucleic Acids Res., 2021
ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions.
J. Cheminformatics, 2021
Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion.
J. Cheminformatics, 2021
The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction.
J. Cheminformatics, 2021
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models.
J. Cheminformatics, 2021
Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors.
Briefings Bioinform., 2021
MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction.
Briefings Bioinform., 2021
Identification of active molecules against Mycobacterium tuberculosis through machine learning.
Briefings Bioinform., 2021
PySmash: Python package and individual executable program for representative substructure generation and application.
Briefings Bioinform., 2021
Scopy: an integrated negative design python library for desirable HTS/VS database design.
Briefings Bioinform., 2021
ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds.
Briefings Bioinform., 2021
Improving structure-based virtual screening performance via learning from scoring function components.
Briefings Bioinform., 2021
Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules.
Briefings Bioinform., 2021
Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets.
Briefings Bioinform., 2021
Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method.
Briefings Bioinform., 2021
DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges.
Briefings Bioinform., 2021
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?
Briefings Bioinform., 2021
Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions.
Briefings Bioinform., 2021
Beware of the generic machine learning-based scoring functions in structure-based virtual screening.
Briefings Bioinform., 2021
Briefings Bioinform., 2021
BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study.
Briefings Bioinform., 2021
2020
Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring.
J. Chem. Inf. Model., 2020
Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays.
J. Chem. Inf. Model., 2020
Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis.
J. Chem. Inf. Model., 2020
ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning.
J. Cheminformatics, 2020
Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning.
Bioinform., 2020
2019
J. Chem. Inf. Model., 2019
ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches.
J. Chem. Inf. Model., 2019
2018
HAMdb: a database of human autophagy modulators with specific pathway and disease information.
J. Cheminformatics, 2018
PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions.
J. Cheminformatics, 2018
ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database.
J. Cheminformatics, 2018
An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction.
CoRR, 2018
ECoFFeS: A Software Using Evolutionary Computation for Feature Selection in Drug Discovery.
IEEE Access, 2018
2017
J. Cheminformatics, 2017
2016
ADME Properties Evaluation in Drug Discovery: Prediction of Caco-2 Cell Permeability Using a Combination of NSGA-II and Boosting.
J. Chem. Inf. Model., 2016
BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
J. Cheminformatics, 2016
TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models.
J. Comput. Aided Mol. Des., 2016
2015
ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation.
J. Cheminformatics, 2015
protr/ProtrWeb: R package and web server for generating various numerical representation schemes of protein sequences.
Bioinform., 2015
Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions.
Bioinform., 2015
2013
PyDPI: Freely Available Python Package for Chemoinformatics, Bioinformatics, and Chemogenomics Studies.
J. Chem. Inf. Model., 2013
ChemoPy: freely available python package for computational biology and chemoinformatics.
Bioinform., 2013
2011
Recipe for Uncovering Predictive Genes Using Support Vector Machines Based on Model Population Analysis.
IEEE ACM Trans. Comput. Biol. Bioinform., 2011
Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features.
J. Comput. Aided Mol. Des., 2011
RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity.
Bioinform., 2011
2010