These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

125 related articles for article (PubMed ID: 38950185)

  • 1. QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design.
    Mervin L; Voronov A; Kabeshov M; Engkvist O
    J Chem Inf Model; 2024 Jul; 64(14):5365-5374. PubMed ID: 38950185
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Artificial intelligence to deep learning: machine intelligence approach for drug discovery.
    Gupta R; Srivastava D; Sahu M; Tiwari S; Ambasta RK; Kumar P
    Mol Divers; 2021 Aug; 25(3):1315-1360. PubMed ID: 33844136
    [TBL] [Abstract][Full Text] [Related]  

  • 3. PREFER: A New Predictive Modeling Framework for Molecular Discovery.
    Lanini J; Santarossa G; Sirockin F; Lewis R; Fechner N; Misztela H; Lewis S; Maziarz K; Stanley M; Segler M; Stiefl N; Schneider N
    J Chem Inf Model; 2023 Aug; 63(15):4497-4504. PubMed ID: 37487018
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Chemprop: A Machine Learning Package for Chemical Property Prediction.
    Heid E; Greenman KP; Chung Y; Li SC; Graff DE; Vermeire FH; Wu H; Green WH; McGill CJ
    J Chem Inf Model; 2024 Jan; 64(1):9-17. PubMed ID: 38147829
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Uncertainty quantification in drug design.
    Mervin LH; Johansson S; Semenova E; Giblin KA; Engkvist O
    Drug Discov Today; 2021 Feb; 26(2):474-489. PubMed ID: 33253918
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Bambu and its applications in the discovery of active molecules against melanoma.
    Guidotti IL; Neis A; Martinez DP; Seixas FK; Machado K; Kremer FS
    J Mol Graph Model; 2023 Nov; 124():108564. PubMed ID: 37453311
    [TBL] [Abstract][Full Text] [Related]  

  • 7. An Analysis of QSAR Research Based on Machine Learning Concepts.
    Keyvanpour MR; Shirzad MB
    Curr Drug Discov Technol; 2021; 18(1):17-30. PubMed ID: 32178612
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations.
    Sato A; Miyao T; Jasial S; Funatsu K
    J Comput Aided Mol Des; 2021 Feb; 35(2):179-193. PubMed ID: 33392949
    [TBL] [Abstract][Full Text] [Related]  

  • 9. BRADSHAW: a system for automated molecular design.
    Green DVS; Pickett S; Luscombe C; Senger S; Marcus D; Meslamani J; Brett D; Powell A; Masson J
    J Comput Aided Mol Des; 2020 Jul; 34(7):747-765. PubMed ID: 31637565
    [TBL] [Abstract][Full Text] [Related]  

  • 10. AutoWeka: toward an automated data mining software for QSAR and QSPR studies.
    Nantasenamat C; Worachartcheewan A; Jamsak S; Preeyanon L; Shoombuatong W; Simeon S; Mandi P; Isarankura-Na-Ayudhya C; Prachayasittikul V
    Methods Mol Biol; 2015; 1260():119-47. PubMed ID: 25502379
    [TBL] [Abstract][Full Text] [Related]  

  • 11. MvMRL: a multi-view molecular representation learning method for molecular property prediction.
    Zhang R; Lin Y; Wu Y; Deng L; Zhang H; Liao M; Peng Y
    Brief Bioinform; 2024 May; 25(4):. PubMed ID: 38920342
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Performance prediction of polymer-fullerene organic solar cells and data mining-assisted designing of new polymers.
    Xiao F; Saqib M; Razzaq S; Mubashir T; Tahir MH; Moussa IM; El-Ansary HO
    J Mol Model; 2023 Aug; 29(8):270. PubMed ID: 37530879
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Automated machine learning approach for developing a quantitative structure-activity relationship model for cardiac steroid inhibition of Na
    Takada Y; Kaneko K
    Pharmacol Rep; 2023 Aug; 75(4):1017-1025. PubMed ID: 37354314
    [TBL] [Abstract][Full Text] [Related]  

  • 14. On the virtues of automated quantitative structure-activity relationship: the new kid on the block.
    de Oliveira MT; Katekawa E
    Future Med Chem; 2018 Feb; 10(3):335-342. PubMed ID: 29393678
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Development of a Web-Enabled SVR-Based Machine Learning Platform and its Application on Modeling Transgene Expression Activity of Aminoglycoside-Derived Polycations.
    Zhen Z; Potta T; Lanzillo NA; Rege K; Breneman CM
    Comb Chem High Throughput Screen; 2017; 20(1):41-55. PubMed ID: 28031013
    [TBL] [Abstract][Full Text] [Related]  

  • 16. General Approach to Estimate Error Bars for Quantitative Structure-Activity Relationship Predictions of Molecular Activity.
    Liu R; Glover KP; Feasel MG; Wallqvist A
    J Chem Inf Model; 2018 Aug; 58(8):1561-1575. PubMed ID: 29949366
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Assigning confidence to molecular property prediction.
    Nigam A; Pollice R; Hurley MFD; Hickman RJ; Aldeghi M; Yoshikawa N; Chithrananda S; Voelz VA; Aspuru-Guzik A
    Expert Opin Drug Discov; 2021 Sep; 16(9):1009-1023. PubMed ID: 34126827
    [No Abstract]   [Full Text] [Related]  

  • 18. On various metrics used for validation of predictive QSAR models with applications in virtual screening and focused library design.
    Roy K; Mitra I
    Comb Chem High Throughput Screen; 2011 Jul; 14(6):450-74. PubMed ID: 21521150
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ensemble Models Based on QuBiLS-MAS Features and Shallow Learning for the Prediction of Drug-Induced Liver Toxicity: Improving Deep Learning and Traditional Approaches.
    Mora JR; Marrero-Ponce Y; GarcĂ­a-Jacas CR; Suarez Causado A
    Chem Res Toxicol; 2020 Jul; 33(7):1855-1873. PubMed ID: 32406679
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantitative structure-activity relationship: promising advances in drug discovery platforms.
    Wang T; Wu MB; Lin JP; Yang LR
    Expert Opin Drug Discov; 2015 Dec; 10(12):1283-300. PubMed ID: 26358617
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.