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 *

344 related articles for article (PubMed ID: 21521150)

  • 21. Ecotoxicological QSAR modeling of organic compounds against fish: Application of fragment based descriptors in feature analysis.
    Khan K; Baderna D; Cappelli C; Toma C; Lombardo A; Roy K; Benfenati E
    Aquat Toxicol; 2019 Jul; 212():162-174. PubMed ID: 31128417
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling.
    Cappel D; Dixon SL; Sherman W; Duan J
    J Comput Aided Mol Des; 2015 Feb; 29(2):165-82. PubMed ID: 25408244
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Hsp90 inhibitors, part 1: definition of 3-D QSAutogrid/R models as a tool for virtual screening.
    Ballante F; Caroli A; Wickersham RB; Ragno R
    J Chem Inf Model; 2014 Mar; 54(3):956-69. PubMed ID: 24564321
    [TBL] [Abstract][Full Text] [Related]  

  • 24. QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery.
    Neves BJ; Braga RC; Melo-Filho CC; Moreira-Filho JT; Muratov EN; Andrade CH
    Front Pharmacol; 2018; 9():1275. PubMed ID: 30524275
    [TBL] [Abstract][Full Text] [Related]  

  • 25. 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]  

  • 26. Discovery of new selective cytotoxic agents against Bcl-2 expressing cancer cells using ligand-based modeling.
    Aboalhaija NH; Zihlif MA; Taha MO
    Chem Biol Interact; 2016 Apr; 250():12-26. PubMed ID: 26954606
    [TBL] [Abstract][Full Text] [Related]  

  • 27. 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]  

  • 28. 4D- quantitative structure-activity relationship modeling: making a comeback.
    Fourches D; Ash J
    Expert Opin Drug Discov; 2019 Dec; 14(12):1227-1235. PubMed ID: 31513441
    [No Abstract]   [Full Text] [Related]  

  • 29. BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimization.
    Vu O; Mendenhall J; Altarawy D; Meiler J
    J Comput Aided Mol Des; 2019 May; 33(5):477-486. PubMed ID: 30955193
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
    Marrero-Ponce Y; Iyarreta-Veitía M; Montero-Torres A; Romero-Zaldivar C; Brandt CA; Avila PE; Kirchgatter K; Machado Y
    J Chem Inf Model; 2005; 45(4):1082-100. PubMed ID: 16045304
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Current approaches for choosing feature selection and learning algorithms in quantitative structure-activity relationships (QSAR).
    Khan PM; Roy K
    Expert Opin Drug Discov; 2018 Dec; 13(12):1075-1089. PubMed ID: 30372648
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.
    Martins Alho MA; Marrero-Ponce Y; Barigye SJ; Meneses-Marcel A; Machado Tugores Y; Montero-Torres A; Gómez-Barrio A; Nogal JJ; García-Sánchez RN; Vega MC; Rolón M; Martínez-Fernández AR; Escario JA; Pérez-Giménez F; Garcia-Domenech R; Rivera N; Mondragón R; Mondragón M; Ibarra-Velarde F; Lopez-Arencibia A; Martín-Navarro C; Lorenzo-Morales J; Cabrera-Serra MG; Piñero J; Tytgat J; Chicharro R; Arán VJ
    Bioorg Med Chem; 2014 Mar; 22(5):1568-85. PubMed ID: 24513185
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Quantitative structure-activity relationship models for ready biodegradability of chemicals.
    Mansouri K; Ringsted T; Ballabio D; Todeschini R; Consonni V
    J Chem Inf Model; 2013 Apr; 53(4):867-78. PubMed ID: 23469921
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Editorial: Current status and perspective on drug targets in tubercle bacilli and drug design of antituberculous agents based on structure-activity relationship.
    Tomioka H
    Curr Pharm Des; 2014; 20(27):4305-6. PubMed ID: 24245755
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation.
    Tang H; Wang XS; Huang XP; Roth BL; Butler KV; Kozikowski AP; Jung M; Tropsha A
    J Chem Inf Model; 2009 Feb; 49(2):461-76. PubMed ID: 19182860
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Pharmacophore modeling, 3D-QSAR and DFT studies of IWR small-molecule inhibitors of Wnt response.
    Kirubakaran P; Karthikeyan M
    J Recept Signal Transduct Res; 2013 Oct; 33(5):276-85. PubMed ID: 23914783
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A three-tier QSAR modeling strategy for estimating eye irritation potential of diverse chemicals in rabbit for regulatory purposes.
    Basant N; Gupta S; Singh KP
    Regul Toxicol Pharmacol; 2016 Jun; 77():282-91. PubMed ID: 27018829
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling.
    Valerio LG; Arvidson KB; Chanderbhan RF; Contrera JF
    Toxicol Appl Pharmacol; 2007 Jul; 222(1):1-16. PubMed ID: 17482223
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships.
    Schultz TW; Cronin MT
    Environ Toxicol Chem; 2003 Mar; 22(3):599-607. PubMed ID: 12627648
    [TBL] [Abstract][Full Text] [Related]  

  • 40. 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]  

    [Previous]   [Next]    [New Search]
    of 18.