Xiaojun Yao
Orcid: 0000-0001-9958-8438
According to our database1,
Xiaojun Yao
authored at least 80 papers
between 2001 and 2024.
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Bibliography
2024
Ice Thickness Assessment of Non-Freshwater Lakes in the Qinghai-Tibetan Plateau Based on Unmanned Aerial Vehicle-Borne Ice-Penetrating Radar: A Case Study of Qinghai Lake and Gahai Lake.
Remote. Sens., March, 2024
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space.
J. Chem. Inf. Model., February, 2024
Unraveling the allosteric inhibition mechanism of PARP-1 CAT and the D766/770A mutation effects via Gaussian accelerated molecular dynamics and Markov state model.
Comput. Biol. Medicine, January, 2024
Extraction of Cladophora Blooms in Qinghai Lake Through the Integration of Sentinel-2 MSI Imagery and Deep Learning Techniques.
IEEE J. Sel. Top. Appl. Earth Obs. Remote. Sens., 2024
An Effective Plant Small Secretory Peptide Recognition Model Based on Feature Correction Strategy.
J. Chem. Inf. Model., 2024
ML-NPI: Predicting Interactions between Noncoding RNA and Protein Based on Meta-Learning in a Large-Scale Dynamic Graph.
J. Chem. Inf. Model., 2024
Versatile Framework for Drug-Target Interaction Prediction by Considering Domain-Specific Features.
J. Chem. Inf. Model., 2024
3DSGIMD: An accurate and interpretable molecular property prediction method using 3D spatial graph focusing network and structure-based feature fusion.
Future Gener. Comput. Syst., 2024
Developing explainable models for lncRNA-Targeted drug discovery using graph autoencoders.
Future Gener. Comput. Syst., 2024
Improving drug response prediction via integrating gene relationships with deep learning.
Briefings Bioinform., 2024
A Lightweight U-like Network Utilizing Neural Memory Ordinary Differential Equations for Slimming the Decoder.
Proceedings of the Thirty-Third International Joint Conference on Artificial Intelligence, 2024
2023
J. Chem. Inf. Model., December, 2023
Inventory of Glacial Lake in the Southeastern Qinghai-Tibet Plateau Derived from Sentinel-1 SAR Image and Sentinel-2 MSI Image.
Remote. Sens., November, 2023
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets.
J. Chem. Inf. Model., November, 2023
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules.
J. Chem. Inf. Model., October, 2023
Remote. Sens., September, 2023
Remote. Sens., September, 2023
J. Comput. Biol., September, 2023
Glacier Change and Its Influencing Factors in the Northern Part of the Kunlun Mountains.
Remote. Sens., August, 2023
GCFMCL: predicting miRNA-drug sensitivity using graph collaborative filtering and multi-view contrastive learning.
Briefings Bioinform., July, 2023
J. Chem. Inf. Model., May, 2023
HeadTailTransfer: An efficient sampling method to improve the performance of graph neural network method in predicting sparse ncRNA-protein interactions.
Comput. Biol. Medicine, May, 2023
Improving drug-target affinity prediction via feature fusion and knowledge distillation.
Briefings Bioinform., May, 2023
Unbiased molecular dynamics simulation of a first-in-class small molecule inhibitor binds to oncostatin M.
Comput. Biol. Medicine, March, 2023
Simulations of Snowmelt Runoff in a High-Altitude Mountainous Area Based on Big Data and Machine Learning Models: Taking the Xiying River Basin as an Example.
Remote. Sens., February, 2023
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism.
Briefings Bioinform., January, 2023
2022
Analysis of the Variability and Influencing Factors of Ice Thickness during the Ablation Period in Qinghai Lake Using the GPR Ice Monitoring System.
Remote. Sens., 2022
Temporal and Spatial Changes and GLOF Susceptibility Assessment of Glacial Lakes in Nepal from 2000 to 2020.
Remote. Sens., 2022
Remote. Sens., 2022
Long-Term Temporal and Spatial Monitoring of Cladophora Blooms in Qinghai Lake Based on Multi-Source Remote Sensing Images.
Remote. Sens., 2022
An adaptive graph learning method for automated molecular interactions and properties predictions.
Nat. Mach. Intell., 2022
Do cloud-based enterprise resource planning systems affect the productivity of human resources in the COVID-19 era?
Kybernetes, 2022
J. Chem. Inf. Model., 2022
Explore the mechanism and substance basis of Mahuang FuziXixin Decoction for the treatment of lung cancer based on network pharmacology and molecular docking.
Comput. Biol. Medicine, 2022
2021
Remote Sensing Monitoring of Advancing and Surging Glaciers in the Tien Shan, 1990-2019.
Remote. Sens., 2021
Effect of Ecological Construction Engineering on Vegetation Restoration: A Case Study of the Loess Plateau.
Remote. Sens., 2021
Discovery of novel IDO1 inhibitors via structure-based virtual screening and biological assays.
J. Comput. Aided Mol. Des., 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
An effective self-supervised framework for learning expressive molecular global representations to drug discovery.
Briefings Bioinform., 2021
Briefings Bioinform., 2021
MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm.
Briefings Bioinform., 2021
2020
Monitoring the Ice Phenology of Qinghai Lake from 1980 to 2018 Using Multisource Remote Sensing Data and Google Earth Engine.
Remote. Sens., 2020
Learn molecular representations from large-scale unlabeled molecules for drug discovery.
CoRR, 2020
Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power.
Briefings Bioinform., 2020
2019
Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations.
J. Chem. Inf. Model., 2019
J. Chem. Inf. Model., 2019
DeepDock: Enhancing Ligand-protein Interaction Prediction by a Combination of Ligand and Structure Information.
Proceedings of the 2019 IEEE International Conference on Bioinformatics and Biomedicine, 2019
2017
Discovery of small molecules binding to the normal conformation of prion by combining virtual screening and multiple biological activity evaluation methods.
J. Comput. Aided Mol. Des., 2017
Molecular basis of P450 OleTJE: an investigation of substrate binding mechanism and major pathways.
J. Comput. Aided Mol. Des., 2017
2015
In Silico Identification of Protein S-Palmitoylation Sites and Their Involvement in Human Inherited Disease.
J. Chem. Inf. Model., 2015
2014
Computational Study on the Drug Resistance Mechanism against HCV NS3/4A Protease Inhibitors Vaniprevir and MK-5172 by the Combination Use of Molecular Dynamics Simulation, Residue Interaction Network, and Substrate Envelope Analysis.
J. Chem. Inf. Model., 2014
2013
Exploring the Molecular Mechanism of Cross-Resistance to HIV-1 Integrase Strand Transfer Inhibitors by Molecular Dynamics Simulation and Residue Interaction Network Analysis.
J. Chem. Inf. Model., 2013
2012
Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective.
J. Comput. Chem., 2012
A sequence-based computational model for the prediction of the solvent accessible surface area for α-helix and β-barrel transmembrane residues.
J. Comput. Chem., 2012
2011
Molecular Dynamics Simulation and Free Energy Calculation Studies of the Binding Mechanism of Allosteric Inhibitors with p38α MAP Kinase.
J. Chem. Inf. Model., 2011
Molecular Dynamics Simulation, Free Energy Calculation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors.
J. Chem. Inf. Model., 2011
<i>In silico</i> prediction of deleterious single amino acid polymorphisms from amino acid sequence.
J. Comput. Chem., 2011
Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation.
J. Comput. Chem., 2011
2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010
J. Comput. Chem., 2010
A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin-concentrating hormone receptor 1 antagonists.
J. Comput. Chem., 2010
Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors.
J. Comput. Chem., 2010
2009
A novel method for protein-ligand binding affinity prediction and the related descriptors exploration.
J. Comput. Chem., 2009
2008
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.
J. Comput. Chem., 2008
Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors.
J. Comput. Aided Mol. Des., 2008
2006
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores.
J. Chem. Inf. Model., 2006
2005
Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines.
J. Comput. Aided Mol. Des., 2005
The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine.
J. Comput. Aided Mol. Des., 2005
2004
Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression.
J. Chem. Inf. Model., 2004
QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine.
J. Chem. Inf. Model., 2004
An Accurate QSPR Study of O-H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines.
J. Chem. Inf. Model., 2004
J. Chem. Inf. Model., 2004
Quantitative Prediction of log<i>k</i> of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine.
J. Chem. Inf. Model., 2004
QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines.
J. Comput. Aided Mol. Des., 2004
2003
QSAR Study of Ethyl 2-[(3-Methyl-2, 5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl) pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-B Mediated Gene Expression Based on Support Vector Machines.
J. Chem. Inf. Comput. Sci., 2003
J. Chem. Inf. Comput. Sci., 2003
2002
Radial Basis Function Neural Network Based QSPR for the Prediction of Critical Pressures of Substituted Benzenes.
Comput. Chem., 2002
2001
Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks.
Comput. Chem., 2001