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Items: 1 to 20 of 110

1.

Prediction of oral bioavailability by adaptive fuzzy partitioning.

Pintore M, van de Waterbeemd H, Piclin N, Chrétien JR.

Eur J Med Chem. 2003 Apr;38(4):427-31.

PMID:
12750031
2.

Ecotoxicity prediction by adaptive fuzzy partitioning: comparing descriptors computed on 2D and 3D structures.

Piclin N, Pintore M, Wechman C, Roncaglioni A, Benfenati E, Chretien JR.

SAR QSAR Environ Res. 2006 Apr;17(2):225-51.

PMID:
16644559
3.

Classification of a large anticancer data set by adaptive fuzzy partition.

Piclin N, Pintore M, Wechman C, Chrétien JR.

J Comput Aided Mol Des. 2004 Jul-Sep;18(7-9):577-86.

PMID:
15729856
4.
5.

QSAR model for drug human oral bioavailability.

Yoshida F, Topliss JG.

J Med Chem. 2000 Jun 29;43(13):2575-85. Erratum in: J Med Chem 2000 Nov 30;43(24):4723.

PMID:
10891117
6.

Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA-CG-SVM method.

Ma CY, Yang SY, Zhang H, Xiang ML, Huang Q, Wei YQ.

J Pharm Biomed Anal. 2008 Aug 5;47(4-5):677-82. doi: 10.1016/j.jpba.2008.03.023. Epub 2008 Mar 28.

PMID:
18455346
7.

Database mining with adaptive fuzzy partition: application to the prediction of pesticide toxicity on rats.

Pintore M, Piclin N, Benfenati E, Gini G, Chrétien JR.

Environ Toxicol Chem. 2003 May;22(5):983-91.

PMID:
12729207
8.

ADME evaluation in drug discovery. 9. Prediction of oral bioavailability in humans based on molecular properties and structural fingerprints.

Tian S, Li Y, Wang J, Zhang J, Hou T.

Mol Pharm. 2011 Jun 6;8(3):841-51. doi: 10.1021/mp100444g. Epub 2011 May 16.

PMID:
21548635
9.

QSPR models for the prediction of apparent volume of distribution.

Ghafourian T, Barzegar-Jalali M, Dastmalchi S, Khavari-Khorasani T, Hakimiha N, Nokhodchi A.

Int J Pharm. 2006 Aug 17;319(1-2):82-97. Epub 2006 Apr 7.

PMID:
16698204
10.

A novel quantitative structure-activity relationship model for prediction of biomagnification factor of some organochlorine pollutants.

Fatemi MH, Baher E.

Mol Divers. 2009 Aug;13(3):343-52. doi: 10.1007/s11030-009-9121-4. Epub 2009 Feb 14.

PMID:
19219557
11.

Genetic algorithm-optimized QSPR models for bioavailability, protein binding, and urinary excretion.

Wang J, Krudy G, Xie XQ, Wu C, Holland G.

J Chem Inf Model. 2006 Nov-Dec;46(6):2674-83.

PMID:
17125207
12.

Construction, training and clinical validation of an interpretation system for genotypic HIV-1 drug resistance based on fuzzy rules revised by virological outcomes.

De Luca A, Vendittelli M, Baldini F, Di Giambenedetto S, Trotta MP, Cingolani A, Bacarelli A, Gori C, Perno CF, Antinori A, Ulivi G.

Antivir Ther. 2004 Aug;9(4):583-93.

PMID:
15456090
13.
14.

Adaptive neuro-fuzzy inference system (ANFIS): a new approach to predictive modeling in QSAR applications: a study of neuro-fuzzy modeling of PCP-based NMDA receptor antagonists.

Buyukbingol E, Sisman A, Akyildiz M, Alparslan FN, Adejare A.

Bioorg Med Chem. 2007 Jun 15;15(12):4265-82. Epub 2007 Mar 24.

PMID:
17434739
15.

Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization.

Nigsch F, Bender A, van Buuren B, Tissen J, Nigsch E, Mitchell JB.

J Chem Inf Model. 2006 Nov-Dec;46(6):2412-22.

PMID:
17125183
16.

Recent developments of in silico predictions of intestinal absorption and oral bioavailability.

Hou T, Li Y, Zhang W, Wang J.

Comb Chem High Throughput Screen. 2009 Jun;12(5):497-506. Review.

PMID:
19519329
17.

Hologram QSAR model for the prediction of human oral bioavailability.

Moda TL, Montanari CA, Andricopulo AD.

Bioorg Med Chem. 2007 Dec 15;15(24):7738-45. Epub 2007 Sep 1.

PMID:
17870541
18.

Comparison of multidimensional fuzzy set ordination with CCA and DB-RDA.

Roberts DW.

Ecology. 2009 Sep;90(9):2622-34.

PMID:
19769139
19.

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 Jan-Feb;47(1):208-18.

PMID:
17238266
20.

Non-congeneric structure-pharmacokinetic property correlation studies using fuzzy adaptive least-squares: oral bioavailability.

Hirono S, Nakagome I, Hirano H, Matsushita Y, Yoshii F, Moriguchi I.

Biol Pharm Bull. 1994 Feb;17(2):306-9.

PMID:
8205131

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