544 related articles for article (PubMed ID: 33837771)
1. Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction.
Liu X; Feng H; Wu J; Xia K
Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33837771
[TBL] [Abstract][Full Text] [Related]
2. Persistent Path-Spectral (PPS) Based Machine Learning for Protein-Ligand Binding Affinity Prediction.
Liu R; Liu X; Wu J
J Chem Inf Model; 2023 Feb; 63(3):1066-1075. PubMed ID: 36647267
[TBL] [Abstract][Full Text] [Related]
3. Forman persistent Ricci curvature (FPRC)-based machine learning models for protein-ligand binding affinity prediction.
Wee J; Xia K
Brief Bioinform; 2021 Nov; 22(6):. PubMed ID: 33940588
[TBL] [Abstract][Full Text] [Related]
4. Ollivier Persistent Ricci Curvature-Based Machine Learning for the Protein-Ligand Binding Affinity Prediction.
Wee J; Xia K
J Chem Inf Model; 2021 Apr; 61(4):1617-1626. PubMed ID: 33724038
[TBL] [Abstract][Full Text] [Related]
5. Dowker complex based machine learning (DCML) models for protein-ligand binding affinity prediction.
Liu X; Feng H; Wu J; Xia K
PLoS Comput Biol; 2022 Apr; 18(4):e1009943. PubMed ID: 35385478
[TBL] [Abstract][Full Text] [Related]
6. Hypergraph-based persistent cohomology (HPC) for molecular representations in drug design.
Liu X; Wang X; Wu J; Xia K
Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33480394
[TBL] [Abstract][Full Text] [Related]
7. Persistent spectral-based machine learning (PerSpect ML) for protein-ligand binding affinity prediction.
Meng Z; Xia K
Sci Adv; 2021 May; 7(19):. PubMed ID: 33962954
[TBL] [Abstract][Full Text] [Related]
8. Molecular persistent spectral image (Mol-PSI) representation for machine learning models in drug design.
Jiang P; Chi Y; Li XS; Liu X; Hua XS; Xia K
Brief Bioinform; 2022 Jan; 23(1):. PubMed ID: 34958660
[TBL] [Abstract][Full Text] [Related]
9. Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening.
Cang Z; Mu L; Wei GW
PLoS Comput Biol; 2018 Jan; 14(1):e1005929. PubMed ID: 29309403
[TBL] [Abstract][Full Text] [Related]
10. A spatial-temporal gated attention module for molecular property prediction based on molecular geometry.
Li C; Wang J; Niu Z; Yao J; Zeng X
Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33822856
[TBL] [Abstract][Full Text] [Related]
11. Chemical graphs, molecular matrices and topological indices in chemoinformatics and quantitative structure-activity relationships.
Ivanciuc O
Curr Comput Aided Drug Des; 2013 Jun; 9(2):153-63. PubMed ID: 23701000
[TBL] [Abstract][Full Text] [Related]
12. Nonparametric chemical descriptors for the calculation of ligand-biopolymer affinities with machine-learning scoring functions.
Moman E; Grishina MA; Potemkin VA
J Comput Aided Mol Des; 2019 Nov; 33(11):943-953. PubMed ID: 31728812
[TBL] [Abstract][Full Text] [Related]
13. Persistent spectral based ensemble learning (PerSpect-EL) for protein-protein binding affinity prediction.
Wee J; Xia K
Brief Bioinform; 2022 Mar; 23(2):. PubMed ID: 35189639
[TBL] [Abstract][Full Text] [Related]
14. Persistent Homology for RNA Data Analysis.
Xia K; Liu X; Wee J
Methods Mol Biol; 2023; 2627():211-229. PubMed ID: 36959450
[TBL] [Abstract][Full Text] [Related]
15. Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery.
Li Z; Huang R; Xia M; Patterson TA; Hong H
Biomolecules; 2024 Jan; 14(1):. PubMed ID: 38254672
[TBL] [Abstract][Full Text] [Related]
16. Machine learning in computational docking.
Khamis MA; Gomaa W; Ahmed WF
Artif Intell Med; 2015 Mar; 63(3):135-52. PubMed ID: 25724101
[TBL] [Abstract][Full Text] [Related]
17. Prediction of protein-ligand interactions from paired protein sequence motifs and ligand substructures.
Greenside P; Hillenmeyer M; Kundaje A
Pac Symp Biocomput; 2018; 23():20-31. PubMed ID: 29218866
[TBL] [Abstract][Full Text] [Related]
18. Machine learning in chemoinformatics and drug discovery.
Lo YC; Rensi SE; Torng W; Altman RB
Drug Discov Today; 2018 Aug; 23(8):1538-1546. PubMed ID: 29750902
[TBL] [Abstract][Full Text] [Related]
19.
Liu X; Feng H; Wu J; Xia K
J Chem Inf Model; 2022 Sep; 62(17):3961-3969. PubMed ID: 36040839
[TBL] [Abstract][Full Text] [Related]
20. The current limits in virtual screening and property prediction.
Hutter MC
Future Med Chem; 2018 Jul; 10(13):1623-1635. PubMed ID: 29953247
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]