201 related articles for article (PubMed ID: 16697202)
1. Correlation of blood-brain penetration using structural descriptors.
Katritzky AR; Kuanar M; Slavov S; Dobchev DA; Fara DC; Karelson M; Acree WE; Solov'ev VP; Varnek A
Bioorg Med Chem; 2006 Jul; 14(14):4888-917. PubMed ID: 16697202
[TBL] [Abstract][Full Text] [Related]
2. QSAR modeling of blood:air and tissue:air partition coefficients using theoretical descriptors.
Katritzky AR; Kuanar M; Fara DC; Karelson M; Acree WE; Solov'ev VP; Varnek A
Bioorg Med Chem; 2005 Dec; 13(23):6450-63. PubMed ID: 16202613
[TBL] [Abstract][Full Text] [Related]
3. Predictive model of blood-brain barrier penetration of organic compounds.
Ma XL; Chen C; Yang J
Acta Pharmacol Sin; 2005 Apr; 26(4):500-12. PubMed ID: 15780201
[TBL] [Abstract][Full Text] [Related]
4. Prediction of blood-brain partitioning: a model based on ab initio calculated quantum chemical descriptors.
Van Damme S; Langenaeker W; Bultinck P
J Mol Graph Model; 2008 Jun; 26(8):1223-36. PubMed ID: 18178493
[TBL] [Abstract][Full Text] [Related]
5. Constructing optimum blood brain barrier QSAR models using a combination of 4D-molecular similarity measures and cluster analysis.
Pan D; Iyer M; Liu J; Li Y; Hopfinger AJ
J Chem Inf Comput Sci; 2004; 44(6):2083-98. PubMed ID: 15554679
[TBL] [Abstract][Full Text] [Related]
6. Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration.
Al-Fahemi JH; Cooper DL; Allan NL
J Mol Graph Model; 2007 Oct; 26(3):607-12. PubMed ID: 17300970
[TBL] [Abstract][Full Text] [Related]
7. Insights for predicting blood-brain barrier penetration of CNS targeted molecules using QSPR approaches.
Fan Y; Unwalla R; Denny RA; Di L; Kerns EH; Diller DJ; Humblet C
J Chem Inf Model; 2010 Jun; 50(6):1123-33. PubMed ID: 20578728
[TBL] [Abstract][Full Text] [Related]
8. A simple predictive model for blood-brain barrier penetration.
Fu XC; Song ZF; Fu CY; Liang WQ
Pharmazie; 2005 May; 60(5):354-8. PubMed ID: 15918585
[TBL] [Abstract][Full Text] [Related]
9. Prediction of blood-brain partitioning and human serum albumin binding based on COSMO-RS sigma-moments.
Wichmann K; Diedenhofen M; Klamt A
J Chem Inf Model; 2007; 47(1):228-33. PubMed ID: 17238268
[TBL] [Abstract][Full Text] [Related]
10. QSAR modeling of anti-invasive activity of organic compounds using structural descriptors.
Katritzky AR; Kuanar M; Dobchev DA; Vanhoecke BW; Karelson M; Parmar VS; Stevens CV; Bracke ME
Bioorg Med Chem; 2006 Oct; 14(20):6933-9. PubMed ID: 16908166
[TBL] [Abstract][Full Text] [Related]
11. Antimalarial activity: a QSAR modeling using CODESSA PRO software.
Katritzky AR; Kulshyn OV; Stoyanova-Slavova I; Dobchev DA; Kuanar M; Fara DC; Karelson M
Bioorg Med Chem; 2006 Apr; 14(7):2333-57. PubMed ID: 16426851
[TBL] [Abstract][Full Text] [Related]
12. ADME evaluation in drug discovery. 1. Applications of genetic algorithms to the prediction of blood-brain partitioning of a large set of drugs.
Hou T; Xu X
J Mol Model; 2002 Dec; 8(12):337-49. PubMed ID: 12541001
[TBL] [Abstract][Full Text] [Related]
13. Predicting blood-brain barrier penetration from molecular weight and number of polar atoms.
Fu XC; Wang GP; Shan HL; Liang WQ; Gao JQ
Eur J Pharm Biopharm; 2008 Oct; 70(2):462-6. PubMed ID: 18632257
[TBL] [Abstract][Full Text] [Related]
14. Prediction of CNS activity of compound libraries using substructure analysis.
Engkvist O; Wrede P; Rester U
J Chem Inf Comput Sci; 2003; 43(1):155-60. PubMed ID: 12546548
[TBL] [Abstract][Full Text] [Related]
15. Prediction of binding affinities to beta1 isoform of human thyroid hormone receptor by genetic algorithm and projection pursuit regression.
Ren Y; Liu H; Li S; Yao X; Liu M
Bioorg Med Chem Lett; 2007 May; 17(9):2474-82. PubMed ID: 17337187
[TBL] [Abstract][Full Text] [Related]
16. QSPR model of Henry's law constant for a diverse set of organic chemicals based on genetic algorithm-radial basis function network approach.
Modarresi H; Modarress H; Dearden JC
Chemosphere; 2007 Feb; 66(11):2067-76. PubMed ID: 17113627
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. High-throughput screening of drug-brain tissue binding and in silico prediction for assessment of central nervous system drug delivery.
Wan H; Rehngren M; Giordanetto F; Bergström F; Tunek A
J Med Chem; 2007 Sep; 50(19):4606-15. PubMed ID: 17725338
[TBL] [Abstract][Full Text] [Related]
19. QSAR modeling of human serum protein binding with several modeling techniques utilizing structure-information representation.
Votano JR; Parham M; Hall LM; Hall LH; Kier LB; Oloff S; Tropsha A
J Med Chem; 2006 Nov; 49(24):7169-81. PubMed ID: 17125269
[TBL] [Abstract][Full Text] [Related]
20. Exploring QSTR and toxicophore of hERG K+ channel blockers using GFA and HypoGen techniques.
Garg D; Gandhi T; Gopi Mohan C
J Mol Graph Model; 2008 Feb; 26(6):966-76. PubMed ID: 17928249
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
