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Items: 1 to 20 of 105

1.

Quantitative structure-activity relationship models that stand the test of time.

Davis AM, Wood DJ.

Mol Pharm. 2013 Apr 1;10(4):1183-90. doi: 10.1021/mp300466n. Epub 2013 Feb 14.

PMID:
23316903
2.
3.

Predictive QSAR modeling workflow, model applicability domains, and virtual screening.

Tropsha A, Golbraikh A.

Curr Pharm Des. 2007;13(34):3494-504. Review.

PMID:
18220786
4.

Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity.

Martin E, Mukherjee P, Sullivan D, Jansen J.

J Chem Inf Model. 2011 Aug 22;51(8):1942-56. doi: 10.1021/ci1005004. Epub 2011 Jul 19.

PMID:
21667971
5.

Basic overview of chemoinformatics.

Engel T.

J Chem Inf Model. 2006 Nov-Dec;46(6):2267-77. Review.

PMID:
17125169
8.

Shuffling multivariate adaptive regression splines and adaptive neuro-fuzzy inference system as tools for QSAR study of SARS inhibitors.

Jalali-Heravi M, Asadollahi-Baboli M, Mani-Varnosfaderani A.

J Pharm Biomed Anal. 2009 Dec 5;50(5):853-60. doi: 10.1016/j.jpba.2009.07.009. Epub 2009 Jul 14.

PMID:
19665859
9.

Associative neural network.

Tetko IV.

Methods Mol Biol. 2008;458:185-202.

PMID:
19065811
10.

Neural networks as robust tools in drug lead discovery and development.

Winkler DA.

Mol Biotechnol. 2004 Jun;27(2):139-68. Review.

PMID:
15208456
11.

Ligand-based drug design methodologies in drug discovery process: an overview.

Bacilieri M, Moro S.

Curr Drug Discov Technol. 2006 Sep;3(3):155-65. Review.

PMID:
17311561
12.

Emerging chemical patterns: a new methodology for molecular classification and compound selection.

Auer J, Bajorath J.

J Chem Inf Model. 2006 Nov-Dec;46(6):2502-14.

PMID:
17125191
13.

Novel 2D fingerprints for ligand-based virtual screening.

Ewing T, Baber JC, Feher M.

J Chem Inf Model. 2006 Nov-Dec;46(6):2423-31.

PMID:
17125184
14.

In silico human and rat Vss quantitative structure-activity relationship models.

Gleeson MP, Waters NJ, Paine SW, Davis AM.

J Med Chem. 2006 Mar 23;49(6):1953-63.

PMID:
16539383
15.

Neural networks in building QSAR models.

Baskin II, Palyulin VA, Zefirov NS.

Methods Mol Biol. 2008;458:137-58. Review.

PMID:
19065809
16.

Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications, and legal issues.

González-Díaz H, Romaris F, Duardo-Sanchez A, Pérez-Montoto LG, Prado-Prado F, Patlewicz G, Ubeira FM.

Curr Pharm Des. 2010;16(24):2737-64. Review.

PMID:
20642428
17.

Structure-based drug design strategies in medicinal chemistry.

Andricopulo AD, Salum LB, Abraham DJ.

Curr Top Med Chem. 2009;9(9):771-90. Review.

PMID:
19754394
18.

An integrated in silico analysis of drug-binding to human serum albumin.

Estrada E, Uriarte E, Molina E, Simón-Manso Y, Milne GW.

J Chem Inf Model. 2006 Nov-Dec;46(6):2709-24.

PMID:
17125211
19.

Towards improving compound selection in structure-based virtual screening.

Waszkowycz B.

Drug Discov Today. 2008 Mar;13(5-6):219-26. doi: 10.1016/j.drudis.2007.12.002. Epub 2008 Feb 4. Review.

PMID:
18342797
20.

Modeling robust QSAR.

Polanski J, Bak A, Gieleciak R, Magdziarz T.

J Chem Inf Model. 2006 Nov-Dec;46(6):2310-8.

PMID:
17125174

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