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Items: 1 to 20 of 108

1.

Locally weighted learning methods for predicting dose-dependent toxicity with application to the human maximum recommended daily dose.

Liu R, Tawa G, Wallqvist A.

Chem Res Toxicol. 2012 Oct 15;25(10):2216-26. doi: 10.1021/tx300279f.

PMID:
22963722
2.
3.

Safety and nutritional assessment of GM plants and derived food and feed: the role of animal feeding trials.

EFSA GMO Panel Working Group on Animal Feeding Trials..

Food Chem Toxicol. 2008 Mar;46 Suppl 1:S2-70. doi: 10.1016/j.fct.2008.02.008. Review.

PMID:
18328408
5.

Kinase-kernel models: accurate in silico screening of 4 million compounds across the entire human kinome.

Martin E, Mukherjee P.

J Chem Inf Model. 2012 Jan 23;52(1):156-70. doi: 10.1021/ci200314j.

PMID:
22133092
6.

kappa Nearest neighbors QSAR modeling as a variational problem: theory and applications.

Itskowitz P, Tropsha A.

J Chem Inf Model. 2005 May-Jun;45(3):777-85.

PMID:
15921467
7.

A research to develop a predicting system of mammalian subacute toxicity. I. Prediction of subacute toxicity using the biological parameters of acute toxicities.

Yamaguchi T, Nishimura H, Watanabe T, Saito S, Yabuki M, Shiba K, Isobe N, Kishida F, Kumano M, Shono F, Adachi H, Matsuo M.

Chemosphere. 1996 Mar;32(5):979-98.

PMID:
8867144
8.
9.

DemQSAR: predicting human volume of distribution and clearance of drugs.

Demir-Kavuk O, Bentzien J, Muegge I, Knapp EW.

J Comput Aided Mol Des. 2011 Dec;25(12):1121-33. doi: 10.1007/s10822-011-9496-z.

PMID:
22101402
10.
11.

Prediction of toxicity from chemical structure.

Barratt MD.

Cell Biol Toxicol. 2000;16(1):1-13. Review.

PMID:
10890502
12.

Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates.

Shen M, Xiao Y, Golbraikh A, Gombar VK, Tropsha A.

J Med Chem. 2003 Jul 3;46(14):3013-20.

PMID:
12825940
13.

Three new consensus QSAR models for the prediction of Ames genotoxicity.

Votano JR, Parham M, Hall LH, Kier LB, Oloff S, Tropsha A, Xie Q, Tong W.

Mutagenesis. 2004 Sep;19(5):365-77.

14.

Using particle swarms for the development of QSAR models based on K-nearest neighbor and kernel regression.

CedeƱo W, Agrafiotis DK.

J Comput Aided Mol Des. 2003 Feb-Apr;17(2-4):255-63.

PMID:
13677491
15.

Critically Assessing the Predictive Power of QSAR Models for Human Liver Microsomal Stability.

Liu R, Schyman P, Wallqvist A.

J Chem Inf Model. 2015 Aug 24;55(8):1566-75. doi: 10.1021/acs.jcim.5b00255.

PMID:
26170251
16.

Estimation of acute oral toxicity in rat using local lazy learning.

Lu J, Peng J, Wang J, Shen Q, Bi Y, Gong L, Zheng M, Luo X, Zhu W, Jiang H, Chen K.

J Cheminform. 2014 May 16;6:26. doi: 10.1186/1758-2946-6-26.

17.

Preclinical pharmacokinetics: an approach towards safer and efficacious drugs.

Singh SS.

Curr Drug Metab. 2006 Feb;7(2):165-82. Review.

PMID:
16472106
18.

In silico prediction of membrane permeability from calculated molecular parameters.

Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.

J Med Chem. 2005 Feb 10;48(3):805-11.

PMID:
15689164
19.

High confidence predictions of drug-drug interactions: predicting affinities for cytochrome P450 2C9 with multiple computational methods.

Hudelson MG, Ketkar NS, Holder LB, Carlson TJ, Peng CC, Waldher BJ, Jones JP.

J Med Chem. 2008 Feb 14;51(3):648-54. doi: 10.1021/jm701130z.

PMID:
18211009
20.

Development and validation of a robust QSAR model for prediction of carcinogenicity of drugs.

Kar S, Roy K.

Indian J Biochem Biophys. 2011 Apr;48(2):111-22.

PMID:
21682143
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