317 related articles for article (PubMed ID: 32210186)
21. Mutual Support of Ligand- and Structure-Based Approaches-To What Extent We Can Optimize the Power of Predictive Model? Case Study of Opioid Receptors.
Podlewska S; Kurczab R
Molecules; 2021 Mar; 26(6):. PubMed ID: 33799356
[TBL] [Abstract][Full Text] [Related]
22. Comparative study between deep learning and QSAR classifications for TNBC inhibitors and novel GPCR agonist discovery.
Tsou LK; Yeh SH; Ueng SH; Chang CP; Song JS; Wu MH; Chang HF; Chen SR; Shih C; Chen CT; Ke YY
Sci Rep; 2020 Oct; 10(1):16771. PubMed ID: 33033310
[TBL] [Abstract][Full Text] [Related]
23. Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction.
Scalia G; Grambow CA; Pernici B; Li YP; Green WH
J Chem Inf Model; 2020 Jun; 60(6):2697-2717. PubMed ID: 32243154
[TBL] [Abstract][Full Text] [Related]
24. DeepCPI: A Deep Learning-based Framework for Large-scale in silico Drug Screening.
Wan F; Zhu Y; Hu H; Dai A; Cai X; Chen L; Gong H; Xia T; Yang D; Wang MW; Zeng J
Genomics Proteomics Bioinformatics; 2019 Oct; 17(5):478-495. PubMed ID: 32035227
[TBL] [Abstract][Full Text] [Related]
25. FaissMolLib: An efficient and easy deployable tool for ligand-based virtual screening.
Liu H; Chen P; Hu B; Wang S; Wang H; Luan J; Wang J; Lin B; Cheng M
Comput Biol Chem; 2024 Jun; 110():108057. PubMed ID: 38581840
[TBL] [Abstract][Full Text] [Related]
26. Compound-protein interaction prediction with end-to-end learning of neural networks for graphs and sequences.
Tsubaki M; Tomii K; Sese J
Bioinformatics; 2019 Jan; 35(2):309-318. PubMed ID: 29982330
[TBL] [Abstract][Full Text] [Related]
27. Trends in Deep Learning for Property-driven Drug Design.
Born J; Manica M
Curr Med Chem; 2021; 28(38):7862-7886. PubMed ID: 34325627
[TBL] [Abstract][Full Text] [Related]
28. In silico prediction of drug-induced ototoxicity using machine learning and deep learning methods.
Huang X; Tang F; Hua Y; Li X
Chem Biol Drug Des; 2021 Aug; 98(2):248-257. PubMed ID: 34013639
[TBL] [Abstract][Full Text] [Related]
29. A renaissance of neural networks in drug discovery.
Baskin II; Winkler D; Tetko IV
Expert Opin Drug Discov; 2016 Aug; 11(8):785-95. PubMed ID: 27295548
[TBL] [Abstract][Full Text] [Related]
30. SWnet: a deep learning model for drug response prediction from cancer genomic signatures and compound chemical structures.
Zuo Z; Wang P; Chen X; Tian L; Ge H; Qian D
BMC Bioinformatics; 2021 Sep; 22(1):434. PubMed ID: 34507532
[TBL] [Abstract][Full Text] [Related]
31. Structure-based drug design with geometric deep learning.
Isert C; Atz K; Schneider G
Curr Opin Struct Biol; 2023 Apr; 79():102548. PubMed ID: 36842415
[TBL] [Abstract][Full Text] [Related]
32. Current methods and challenges for deep learning in drug discovery.
Schroedl S
Drug Discov Today Technol; 2019 Dec; 32-33():9-17. PubMed ID: 33386100
[TBL] [Abstract][Full Text] [Related]
33. From deep learning to transfer learning for the prediction of skeletal muscle forces.
Dao TT
Med Biol Eng Comput; 2019 May; 57(5):1049-1058. PubMed ID: 30552553
[TBL] [Abstract][Full Text] [Related]
34. Evaluation of Cross-Validation Strategies in Sequence-Based Binding Prediction Using Deep Learning.
Lopez-Del Rio A; Nonell-Canals A; Vidal D; Perera-Lluna A
J Chem Inf Model; 2019 Apr; 59(4):1645-1657. PubMed ID: 30730731
[TBL] [Abstract][Full Text] [Related]
35. Deep Learning in Chemistry.
Mater AC; Coote ML
J Chem Inf Model; 2019 Jun; 59(6):2545-2559. PubMed ID: 31194543
[TBL] [Abstract][Full Text] [Related]
36. Deep Learning-Based Conformal Prediction of Toxicity.
Zhang J; Norinder U; Svensson F
J Chem Inf Model; 2021 Jun; 61(6):2648-2657. PubMed ID: 34043352
[TBL] [Abstract][Full Text] [Related]
37. Training based on ligand efficiency improves prediction of bioactivities of ligands and drug target proteins in a machine learning approach.
Sugaya N
J Chem Inf Model; 2013 Oct; 53(10):2525-37. PubMed ID: 24020509
[TBL] [Abstract][Full Text] [Related]
38. Biomedical Data and Deep Learning Computational Models for Predicting Compound-Protein Relations.
Zhao Q; Yang M; Cheng Z; Li Y; Wang J
IEEE/ACM Trans Comput Biol Bioinform; 2022; 19(4):2092-2110. PubMed ID: 33769935
[TBL] [Abstract][Full Text] [Related]
39. Compound-protein interaction prediction by deep learning: Databases, descriptors and models.
Du BX; Qin Y; Jiang YF; Xu Y; Yiu SM; Yu H; Shi JY
Drug Discov Today; 2022 May; 27(5):1350-1366. PubMed ID: 35248748
[TBL] [Abstract][Full Text] [Related]
40. Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks.
Montanari F; Kuhnke L; Ter Laak A; Clevert DA
Molecules; 2019 Dec; 25(1):. PubMed ID: 31877719
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]