164 related articles for article (PubMed ID: 26721261)
21. Ligand-based prediction of active conformation by 3D-QSAR flexibility descriptors and their application in 3+3D-QSAR models.
Martinek TA; Otvös F; Dervarics M; Tóth G; Fülöp F
J Med Chem; 2005 May; 48(9):3239-50. PubMed ID: 15857130
[TBL] [Abstract][Full Text] [Related]
22. Role of computer-aided drug design in modern drug discovery.
Macalino SJ; Gosu V; Hong S; Choi S
Arch Pharm Res; 2015 Sep; 38(9):1686-701. PubMed ID: 26208641
[TBL] [Abstract][Full Text] [Related]
23. Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.
Mohr JA; Jain BJ; Obermayer K
J Chem Inf Model; 2008 Sep; 48(9):1868-81. PubMed ID: 18767832
[TBL] [Abstract][Full Text] [Related]
24. Role of Topological, Electronic, Geometrical, Constitutional and Quantum Chemical Based Descriptors in QSAR: mPGES-1 as a Case Study.
Gupta A; Kumar V; Aparoy P
Curr Top Med Chem; 2018; 18(13):1075-1090. PubMed ID: 30027847
[TBL] [Abstract][Full Text] [Related]
25. Quantitative Structure Activity/Toxicity Relationship through Neural Networks for Drug Discovery or Regulatory Use.
Novič M
Curr Top Med Chem; 2023; 23(29):2792-2804. PubMed ID: 37867278
[TBL] [Abstract][Full Text] [Related]
26. HATS5m as an Example of GETAWAY Molecular Descriptor in Assessing the Similarity/Diversity of the Structural Features of 4-Thiazolidinone.
Zapadka M; Dekowski P; Kupcewicz B
Int J Mol Sci; 2022 Jun; 23(12):. PubMed ID: 35743020
[TBL] [Abstract][Full Text] [Related]
27. Computational chemogenomics: is it more than inductive transfer?
Brown JB; Okuno Y; Marcou G; Varnek A; Horvath D
J Comput Aided Mol Des; 2014 Jun; 28(6):597-618. PubMed ID: 24771144
[TBL] [Abstract][Full Text] [Related]
28. QSAR of Chalcones Utilizing Theoretical Molecular Descriptors.
Nandi S; Bagchi MC
Curr Comput Aided Drug Des; 2015; 11(2):184-93. PubMed ID: 26135340
[TBL] [Abstract][Full Text] [Related]
29. Latest advances in molecular topology applications for drug discovery.
Zanni R; Galvez-Llompart M; García-Domenech R; Galvez J
Expert Opin Drug Discov; 2015; 10(9):945-57. PubMed ID: 26134383
[TBL] [Abstract][Full Text] [Related]
30. Predictive QSAR modeling workflow, model applicability domains, and virtual screening.
Tropsha A; Golbraikh A
Curr Pharm Des; 2007; 13(34):3494-504. PubMed ID: 18220786
[TBL] [Abstract][Full Text] [Related]
31. Novel approach to evolutionary neural network based descriptor selection and QSAR model development.
Debeljak Z; Marohnić V; Srecnik G; Medić-Sarić M
J Comput Aided Mol Des; 2005 Dec; 19(12):835-55. PubMed ID: 16607572
[TBL] [Abstract][Full Text] [Related]
32. 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]
33. Study of the binding affinity for corticosteroid-binding globulin (CBG) using the electron topological method (ETM) as three-dimensional quantitative structure-activity relationship (3D QSAR).
Guzel Y; Ozturk E
Bioorg Med Chem; 2003 Oct; 11(20):4383-8. PubMed ID: 13129576
[TBL] [Abstract][Full Text] [Related]
34. Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors.
Matter H
J Med Chem; 1997 Apr; 40(8):1219-29. PubMed ID: 9111296
[TBL] [Abstract][Full Text] [Related]
35. 3D-QSAR and receptor modeling of tyrosine kinase inhibitors with flexible atom receptor model (FLARM).
Peng T; Pei J; Zhou J
J Chem Inf Comput Sci; 2003; 43(1):298-303. PubMed ID: 12546565
[TBL] [Abstract][Full Text] [Related]
36. QSAR, docking and ADMET studies of artemisinin derivatives for antimalarial activity targeting plasmepsin II, a hemoglobin-degrading enzyme from P. falciparum.
Qidwai T; Yadav DK; Khan F; Dhawan S; Bhakuni RS
Curr Pharm Des; 2012; 18(37):6133-54. PubMed ID: 22670592
[TBL] [Abstract][Full Text] [Related]
37. 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]
38. A neural network-based QSAR approach for exploration of diverse multi-tyrosine kinase inhibitors and its comparison with a fragment- based approach.
Ajmani S; Viswanadhan VN
Curr Comput Aided Drug Des; 2013 Dec; 9(4):482-90. PubMed ID: 24138419
[TBL] [Abstract][Full Text] [Related]
39. Monoamino oxidase a: an interesting pharmacological target for the development of multi-target QSAR.
Molina E; Sobarzo-Sanchez E; Speck-Planche A; Matos MJ; Uriarte E; Santana L; Yanez M; Orallo F
Mini Rev Med Chem; 2012 Sep; 12(10):947-58. PubMed ID: 22420572
[TBL] [Abstract][Full Text] [Related]
40. Grid-based Continual Analysis of Molecular Interior for Drug Discovery, QSAR and QSPR.
Potemkin AV; Grishina MA; Potemkin VA
Curr Drug Discov Technol; 2017; 14(3):181-205. PubMed ID: 28176631
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
