Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 45

1.

A classification model to predict synergism/antagonism of cytotoxic mixtures using protein-drug docking scores.

Boik JC, Newman RA.

BMC Pharmacol. 2008 Jul 29;8:13. doi: 10.1186/1471-2210-8-13.

3.

Medicinal chemistry and bioinformatics--current trends in drugs discovery with networks topological indices.

González-Díaz H, Vilar S, Santana L, Uriarte E.

Curr Top Med Chem. 2007;7(10):1015-29. Review.

PMID:
17508935
4.
5.

Clinical pharmacology of 1,4-butanediol and gamma-hydroxybutyrate after oral 1,4-butanediol administration to healthy volunteers.

Thai D, Dyer JE, Jacob P, Haller CA.

Clin Pharmacol Ther. 2007 Feb;81(2):178-84. Epub 2006 Dec 27.

PMID:
17192771
6.

Exploiting QSAR methods in lead optimization.

Brown N, Lewis RA.

Curr Opin Drug Discov Devel. 2006 Jul;9(4):419-24. Review.

PMID:
16889226
7.

Structure-based methods for the prediction of drug metabolism.

Madden JC, Cronin MT.

Expert Opin Drug Metab Toxicol. 2006 Aug;2(4):545-57. Review.

PMID:
16859403
8.
9.

Structure-toxicity relationships of nitroaromatic compounds.

Isayev O, Rasulev B, Gorb L, Leszczynski J.

Mol Divers. 2006 May;10(2):233-45. Epub 2006 May 19.

PMID:
16710810
10.

PLS dimension reduction for classification with microarray data.

Boulesteix AL.

Stat Appl Genet Mol Biol. 2004;3:Article33. Epub 2004 Nov 23.

PMID:
16646813
11.
12.

Graph kernels for chemical informatics.

Ralaivola L, Swamidass SJ, Saigo H, Baldi P.

Neural Netw. 2005 Oct;18(8):1093-110. Epub 2005 Sep 12.

PMID:
16157471
13.

A QSAR study of acute toxicity of N-substituted fluoroacetamides to rats.

Juranić IO, Drakulić BJ, Petrović SD, Mijin DZ, Stanković MV.

Chemosphere. 2006 Jan;62(4):641-9. Epub 2005 Jul 5.

PMID:
16002123
14.

Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity.

Swamidass SJ, Chen J, Bruand J, Phung P, Ralaivola L, Baldi P.

Bioinformatics. 2005 Jun;21 Suppl 1:i359-68.

PMID:
15961479
15.

Prediction of drug absorption based on immobilized artificial membrane (IAM) chromatography separation and calculated molecular descriptors.

Yen TE, Agatonovic-Kustrin S, Evans AM, Nation RL, Ryand J.

J Pharm Biomed Anal. 2005 Jul 1;38(3):472-8.

PMID:
15890485
16.

Practical considerations on the use of predictive models for regulatory purposes.

Tunkel J, Mayo K, Austin C, Hickerson A, Howard P.

Environ Sci Technol. 2005 Apr 1;39(7):2188-99.

PMID:
15871254
17.

An automated PLS search for biologically relevant QSAR descriptors.

Olah M, Bologa C, Oprea TI.

J Comput Aided Mol Des. 2004 Jul-Sep;18(7-9):437-49.

PMID:
15729845
19.
20.

Classification using partial least squares with penalized logistic regression.

Fort G, Lambert-Lacroix S.

Bioinformatics. 2005 Apr 1;21(7):1104-11. Epub 2004 Nov 5.

PMID:
15531609

Supplemental Content

Support Center