370 related articles for article (PubMed ID: 34196933)
21. Toxic Colors: The Use of Deep Learning for Predicting Toxicity of Compounds Merely from Their Graphic Images.
Fernandez M; Ban F; Woo G; Hsing M; Yamazaki T; LeBlanc E; Rennie PS; Welch WJ; Cherkasov A
J Chem Inf Model; 2018 Aug; 58(8):1533-1543. PubMed ID: 30063345
[TBL] [Abstract][Full Text] [Related]
22. Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI).
Minerali E; Foil DH; Zorn KM; Lane TR; Ekins S
Mol Pharm; 2020 Jul; 17(7):2628-2637. PubMed ID: 32422053
[TBL] [Abstract][Full Text] [Related]
23. Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction.
Robinson MC; Glen RC; Lee AA
J Comput Aided Mol Des; 2020 Jul; 34(7):717-730. PubMed ID: 31960253
[TBL] [Abstract][Full Text] [Related]
24. Predicting the cytotoxicity of chemicals using ensemble learning methods and molecular fingerprints.
Yin Z; Ai H; Zhang L; Ren G; Wang Y; Zhao Q; Liu H
J Appl Toxicol; 2019 Oct; 39(10):1366-1377. PubMed ID: 30763981
[TBL] [Abstract][Full Text] [Related]
25. ADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity.
Lei T; Chen F; Liu H; Sun H; Kang Y; Li D; Li Y; Hou T
Mol Pharm; 2017 Jul; 14(7):2407-2421. PubMed ID: 28595388
[TBL] [Abstract][Full Text] [Related]
26. Cheminformatics Analysis and Modeling with MacrolactoneDB.
Zin PPK; Williams GJ; Ekins S
Sci Rep; 2020 Apr; 10(1):6284. PubMed ID: 32286395
[TBL] [Abstract][Full Text] [Related]
27. TOP: A deep mixture representation learning method for boosting molecular toxicity prediction.
Peng Y; Zhang Z; Jiang Q; Guan J; Zhou S
Methods; 2020 Jul; 179():55-64. PubMed ID: 32446957
[TBL] [Abstract][Full Text] [Related]
28. Modeling and insights into the structural characteristics of drug-induced autoimmune diseases.
Guo H; Zhang P; Zhang R; Hua Y; Zhang P; Cui X; Huang X; Li X
Front Immunol; 2022; 13():1015409. PubMed ID: 36353637
[TBL] [Abstract][Full Text] [Related]
29. ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions.
Sushko I; Salmina E; Potemkin VA; Poda G; Tetko IV
J Chem Inf Model; 2012 Aug; 52(8):2310-6. PubMed ID: 22876798
[TBL] [Abstract][Full Text] [Related]
30. In Silico Prediction of Chemical-Induced Hepatocellular Hypertrophy Using Molecular Descriptors.
Ambe K; Ishihara K; Ochibe T; Ohya K; Tamura S; Inoue K; Yoshida M; Tohkin M
Toxicol Sci; 2018 Apr; 162(2):667-675. PubMed ID: 29309657
[TBL] [Abstract][Full Text] [Related]
31. Cheminformatics in Drug Discovery, an Industrial Perspective.
Chen H; Kogej T; Engkvist O
Mol Inform; 2018 Sep; 37(9-10):e1800041. PubMed ID: 29774657
[TBL] [Abstract][Full Text] [Related]
32. Review of machine learning and deep learning models for toxicity prediction.
Guo W; Liu J; Dong F; Song M; Li Z; Khan MKH; Patterson TA; Hong H
Exp Biol Med (Maywood); 2023 Nov; 248(21):1952-1973. PubMed ID: 38057999
[TBL] [Abstract][Full Text] [Related]
33. Identification of active molecules against Mycobacterium tuberculosis through machine learning.
Ye Q; Chai X; Jiang D; Yang L; Shen C; Zhang X; Li D; Cao D; Hou T
Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33822874
[TBL] [Abstract][Full Text] [Related]
34. Modeling and insights into the structural basis of chemical acute aquatic toxicity.
Zhang R; Guo H; Hua Y; Cui X; Shi Y; Li X
Ecotoxicol Environ Saf; 2022 Sep; 242():113940. PubMed ID: 35999760
[TBL] [Abstract][Full Text] [Related]
35. Machine Learning Methods in Drug Discovery.
Patel L; Shukla T; Huang X; Ussery DW; Wang S
Molecules; 2020 Nov; 25(22):. PubMed ID: 33198233
[TBL] [Abstract][Full Text] [Related]
36. Gene Expression Data Based Deep Learning Model for Accurate Prediction of Drug-Induced Liver Injury in Advance.
Feng C; Chen H; Yuan X; Sun M; Chu K; Liu H; Rui M
J Chem Inf Model; 2019 Jul; 59(7):3240-3250. PubMed ID: 31188585
[TBL] [Abstract][Full Text] [Related]
37. A Molecular Image-Based Novel Quantitative Structure-Activity Relationship Approach, Deepsnap-Deep Learning and Machine Learning.
Matsuzaka Y; Uesawa Y
Curr Issues Mol Biol; 2021; 42():455-472. PubMed ID: 33339777
[TBL] [Abstract][Full Text] [Related]
38. In Silico Prediction of Compounds Binding to Human Plasma Proteins by QSAR Models.
Sun L; Yang H; Li J; Wang T; Li W; Liu G; Tang Y
ChemMedChem; 2018 Mar; 13(6):572-581. PubMed ID: 29057587
[TBL] [Abstract][Full Text] [Related]
39. Deep Learning Algorithm Based on Molecular Fingerprint for Prediction of Drug-Induced Liver Injury.
Yang Q; Zhang S; Li Y
Toxicology; 2024 Feb; 502():153736. PubMed ID: 38307192
[TBL] [Abstract][Full Text] [Related]
40. Targeting HIV/HCV Coinfection Using a Machine Learning-Based Multiple Quantitative Structure-Activity Relationships (Multiple QSAR) Method.
Wei Y; Li W; Du T; Hong Z; Lin J
Int J Mol Sci; 2019 Jul; 20(14):. PubMed ID: 31336592
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
