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.
6. Genetic Algorithm and Self-Organizing Maps for QSPR Study of Some N-aryl Derivatives as Butyrylcholinesterase Inhibitors. Ahmadi S; Ganji S Curr Drug Discov Technol; 2016; 13(4):232-253. PubMed ID: 27457492 [TBL] [Abstract][Full Text] [Related]
8. Computational models for the classification of mPGES-1 inhibitors with fingerprint descriptors. Xia Z; Yan A Mol Divers; 2017 Aug; 21(3):661-675. PubMed ID: 28484935 [TBL] [Abstract][Full Text] [Related]
9. Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes. Fayet G; Jacquemin D; Wathelet V; Perpète EA; Rotureau P; Adamo C J Mol Graph Model; 2010 Feb; 28(6):465-71. PubMed ID: 20036173 [TBL] [Abstract][Full Text] [Related]
10. Systematically evaluating read-across prediction and performance using a local validity approach characterized by chemical structure and bioactivity information. Shah I; Liu J; Judson RS; Thomas RS; Patlewicz G Regul Toxicol Pharmacol; 2016 Aug; 79():12-24. PubMed ID: 27174420 [TBL] [Abstract][Full Text] [Related]
11. Using molecular docking, 3D-QSAR, and cluster analysis for screening structurally diverse data sets of pharmacological interest. Santos-Filho OA; Cherkasov A J Chem Inf Model; 2008 Oct; 48(10):2054-65. PubMed ID: 18816024 [TBL] [Abstract][Full Text] [Related]
12. Efficient predictions of cytotoxicity of TiO Banerjee A; Kar S; Pore S; Roy K Nanotoxicology; 2023 Feb; 17(1):78-93. PubMed ID: 36891579 [TBL] [Abstract][Full Text] [Related]
13. Exploring the QSAR's predictive truthfulness of the novel N-tuple discrete derivative indices on benchmark datasets. Martínez-Santiago O; Marrero-Ponce Y; Vivas-Reyes R; Rivera-Borroto OM; Hurtado E; Treto-Suarez MA; Ramos Y; Vergara-Murillo F; Orozco-Ugarriza ME; Martínez-López Y SAR QSAR Environ Res; 2017 May; 28(5):367-389. PubMed ID: 28590848 [TBL] [Abstract][Full Text] [Related]
17. QSAR and docking studies of anthraquinone derivatives by similarity cluster prediction. Harsa AM; Harsa TE; Diudea MV J Enzyme Inhib Med Chem; 2016; 31(3):508-15. PubMed ID: 26018421 [TBL] [Abstract][Full Text] [Related]
18. QSAR and Classification Study on Prediction of Acute Oral Toxicity of Fan T; Sun G; Zhao L; Cui X; Zhong R Int J Mol Sci; 2018 Oct; 19(10):. PubMed ID: 30282923 [TBL] [Abstract][Full Text] [Related]
19. Advances in the replacement and enhanced replacement method in QSAR and QSPR theories. Mercader AG; Duchowicz PR; Fernández FM; Castro EA J Chem Inf Model; 2011 Jul; 51(7):1575-81. PubMed ID: 21644502 [TBL] [Abstract][Full Text] [Related]
20. 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] [Next] [New Search]