214 related articles for article (PubMed ID: 15501539)
1. A topological sub-structural approach for predicting human intestinal absorption of drugs.
Pérez MA; Sanz MB; Torres LR; Avalos RG; González MP; Díaz HG
Eur J Med Chem; 2004 Nov; 39(11):905-16. PubMed ID: 15501539
[TBL] [Abstract][Full Text] [Related]
2. A new topological descriptors based model for predicting intestinal epithelial transport of drugs in Caco-2 cell culture.
Marrero Ponce Y; Cabrera Pérez MA; Romero Zaldivar V; González Díaz H; Torrens F
J Pharm Pharm Sci; 2004 Jun; 7(2):186-99. PubMed ID: 15367375
[TBL] [Abstract][Full Text] [Related]
3. ADME evaluation in drug discovery. 8. The prediction of human intestinal absorption by a support vector machine.
Hou T; Wang J; Li Y
J Chem Inf Model; 2007; 47(6):2408-15. PubMed ID: 17929911
[TBL] [Abstract][Full Text] [Related]
4. A topological substructural approach applied to the computational prediction of rodent carcinogenicity.
Helguera AM; Cabrera Pérez MA; González MP; Ruiz RM; González Díaz H
Bioorg Med Chem; 2005 Apr; 13(7):2477-88. PubMed ID: 15755650
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. In silico prediction of central nervous system activity of compounds. Identification of potential pharmacophores by the TOPS-MODE approach.
Cabrera Pérez MA; Sanz MB
Bioorg Med Chem; 2004 Nov; 12(22):5833-43. PubMed ID: 15498659
[TBL] [Abstract][Full Text] [Related]
7. Using general regression and probabilistic neural networks to predict human intestinal absorption with topological descriptors derived from two-dimensional chemical structures.
Niwa T
J Chem Inf Comput Sci; 2003; 43(1):113-9. PubMed ID: 12546543
[TBL] [Abstract][Full Text] [Related]
8. Passive oral drug absorption can be predicted more reliably by experimental than computational models--fact or myth.
Linnankoski J; Ranta VP; Yliperttula M; Urtti A
Eur J Pharm Sci; 2008 Jul; 34(2-3):129-39. PubMed ID: 18455374
[TBL] [Abstract][Full Text] [Related]
9. ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification.
Hou T; Wang J; Zhang W; Xu X
J Chem Inf Model; 2007; 47(1):208-18. PubMed ID: 17238266
[TBL] [Abstract][Full Text] [Related]
10. Feature selection for descriptor based classification models. 2. Human intestinal absorption (HIA).
Wegner JK; Fröhlich H; Zell A
J Chem Inf Comput Sci; 2004; 44(3):931-9. PubMed ID: 15154759
[TBL] [Abstract][Full Text] [Related]
11. Prediction and mechanistic interpretation of human oral drug absorption using MI-QSAR analysis.
Iyer M; Tseng YJ; Senese CL; Liu J; Hopfinger AJ
Mol Pharm; 2007; 4(2):218-31. PubMed ID: 17397237
[TBL] [Abstract][Full Text] [Related]
12. Computational prediction of oral drug absorption based on absorption rate constants in humans.
Linnankoski J; Mäkelä JM; Ranta VP; Urtti A; Yliperttula M
J Med Chem; 2006 Jun; 49(12):3674-81. PubMed ID: 16759110
[TBL] [Abstract][Full Text] [Related]
13. Measurement and prediction of oral absorption.
Keldenich J
Chem Biodivers; 2009 Nov; 6(11):2000-13. PubMed ID: 19937837
[TBL] [Abstract][Full Text] [Related]
14. Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds.
Prado-Prado FJ; González-Díaz H; de la Vega OM; Ubeira FM; Chou KC
Bioorg Med Chem; 2008 Jun; 16(11):5871-80. PubMed ID: 18485714
[TBL] [Abstract][Full Text] [Related]
15. Functional role of P-glycoprotein in limiting intestinal absorption of drugs: contribution of passive permeability to P-glycoprotein mediated efflux transport.
Varma MV; Sateesh K; Panchagnula R
Mol Pharm; 2005; 2(1):12-21. PubMed ID: 15804173
[TBL] [Abstract][Full Text] [Related]
16. Evaluation of chromatographic descriptors for the prediction of gastro-intestinal absorption of drugs.
Deconinck E; Ates H; Callebaut N; Van Gyseghem E; Vander Heyden Y
J Chromatogr A; 2007 Jan; 1138(1-2):190-202. PubMed ID: 17097093
[TBL] [Abstract][Full Text] [Related]
17. Predicting human intestinal absorption of diverse chemicals using ensemble learning based QSAR modeling approaches.
Basant N; Gupta S; Singh KP
Comput Biol Chem; 2016 Apr; 61():178-96. PubMed ID: 26881740
[TBL] [Abstract][Full Text] [Related]
18. Classification structure-activity relations (C-SAR) in prediction of human intestinal absorption.
Zmuidinavicius D; Didziapetris R; Japertas P; Avdeef A; Petrauskas A
J Pharm Sci; 2003 Mar; 92(3):621-33. PubMed ID: 12587124
[TBL] [Abstract][Full Text] [Related]
19. Predictive activity profiling of drugs by topological-fragment-spectra-based support vector machines.
Kawai K; Fujishima S; Takahashi Y
J Chem Inf Model; 2008 Jun; 48(6):1152-60. PubMed ID: 18533712
[TBL] [Abstract][Full Text] [Related]
20. A topological substructural approach for the prediction of P-glycoprotein substrates.
Cabrera MA; González I; Fernández C; Navarro C; Bermejo M
J Pharm Sci; 2006 Mar; 95(3):589-606. PubMed ID: 16432877
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
