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.
201 related articles for article (PubMed ID: 27870246)
21. Comparative Analysis of QSAR-based vs. Chemical Similarity Based Predictors of GPCRs Binding Affinity. Luo M; Wang XS; Tropsha A Mol Inform; 2016 Jan; 35(1):36-41. PubMed ID: 27491652 [TBL] [Abstract][Full Text] [Related]
22. Combinatorial QSAR modeling of P-glycoprotein substrates. de Cerqueira Lima P; Golbraikh A; Oloff S; Xiao Y; Tropsha A J Chem Inf Model; 2006; 46(3):1245-54. PubMed ID: 16711744 [TBL] [Abstract][Full Text] [Related]
23. Applying data mining techniques to library design, lead generation and lead optimization. Weaver DC Curr Opin Chem Biol; 2004 Jun; 8(3):264-70. PubMed ID: 15183324 [TBL] [Abstract][Full Text] [Related]
24. A general method for exploiting QSAR models in lead optimization. Lewis RA J Med Chem; 2005 Mar; 48(5):1638-48. PubMed ID: 15743205 [TBL] [Abstract][Full Text] [Related]
25. Learning from Multiple Classifier Systems: Perspectives for Improving Decision Making of QSAR Models in Medicinal Chemistry. Pham-The H; Nam NH; Nga DV; Hai DT; Dieguez-Santana K; Marrero-Poncee Y; Castillo-Garit JA; Casanola-Martin GM; Le-Thi-Thu H Curr Top Med Chem; 2018 Feb; 17(30):3269-3288. PubMed ID: 29231145 [TBL] [Abstract][Full Text] [Related]
26. QSAR models for predicting enzymatic hydrolysis of new chemical entities in 'soft-drug' design. Massarelli I; Macchia M; Minutolo F; Prota G; Bianucci AM Bioorg Med Chem; 2009 May; 17(10):3543-56. PubMed ID: 19398207 [TBL] [Abstract][Full Text] [Related]
27. Testing non-additivity of biological activity in a combinatorial library. Nanxiang G; Cho SJ; Hermsmeier M; Poss M; Shen CF Comb Chem High Throughput Screen; 2002 Mar; 5(2):147-54. PubMed ID: 11966423 [TBL] [Abstract][Full Text] [Related]
28. 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]
29. How Transparent Oxides Gain Some Color: Discovery of a CeNiO Barad HN; Keller DA; Rietwyk KJ; Ginsburg A; Tirosh S; Meir S; Anderson AY; Zaban A ACS Comb Sci; 2018 Jun; 20(6):366-376. PubMed ID: 29718654 [TBL] [Abstract][Full Text] [Related]
30. Combinatorial Discovery of Lanthanum-Tantalum Oxynitride Solar Light Absorbers with Dilute Nitrogen for Solar Fuel Applications. Suram SK; Fackler SW; Zhou L; N'Diaye AT; Drisdell WS; Yano J; Gregoire JM ACS Comb Sci; 2018 Jan; 20(1):26-34. PubMed ID: 29178778 [TBL] [Abstract][Full Text] [Related]
31. QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity. Garro Martinez JC; Vega-Hissi EG; Andrada MF; Estrada MR Expert Opin Drug Discov; 2015 Jan; 10(1):37-51. PubMed ID: 25297377 [TBL] [Abstract][Full Text] [Related]
32. Machine learning and big data provide crucial insight for future biomaterials discovery and research. Kerner J; Dogan A; von Recum H Acta Biomater; 2021 Aug; 130():54-65. PubMed ID: 34087445 [TBL] [Abstract][Full Text] [Related]
35. ChemModLab: a web-based cheminformatics modeling laboratory. Hughes-Oliver JM; Brooks AD; Welch WJ; Khaledi MG; Hawkins D; Young SS; Patil K; Howell GW; Ng RT; Chu MT In Silico Biol; 2011-2012; 11(1-2):61-81. PubMed ID: 22475752 [TBL] [Abstract][Full Text] [Related]
36. A machine learning-based approach to prognostic analysis of thoracic transplantations. Delen D; Oztekin A; Kong ZJ Artif Intell Med; 2010 May; 49(1):33-42. PubMed ID: 20153956 [TBL] [Abstract][Full Text] [Related]
37. Comparison of combinatorial clustering methods on pharmacological data sets represented by machine learning-selected real molecular descriptors. Rivera-Borroto OM; Marrero-Ponce Y; García-de la Vega JM; Grau-Ábalo Rdel C J Chem Inf Model; 2011 Dec; 51(12):3036-49. PubMed ID: 22098113 [TBL] [Abstract][Full Text] [Related]
38. The present utility and future potential for medicinal chemistry of QSAR/QSPR with whole molecule descriptors. Katritzky AR; Fara DC; Petrukhin RO; Tatham DB; Maran U; Lomaka A; Karelson M Curr Top Med Chem; 2002 Dec; 2(12):1333-56. PubMed ID: 12470284 [TBL] [Abstract][Full Text] [Related]
39. Partial order theory applied to QSPR-QSAR studies. Duchowicz PR; Castr EA Comb Chem High Throughput Screen; 2008 Dec; 11(10):783-93. PubMed ID: 19075600 [TBL] [Abstract][Full Text] [Related]
40. The inverse problems for some topological indices in combinatorial chemistry. Li X; Li Z; Wang L J Comput Biol; 2003; 10(1):47-55. PubMed ID: 12676050 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]