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Items: 14

1.

Advances in distributed computing with modern drug discovery.

Banegas-Luna AJ, Imbernón B, Llanes Castro A, Pérez-Garrido A, Cerón-Carrasco JP, Gesing S, Merelli I, D'Agostino D, Pérez-Sánchez H.

Expert Opin Drug Discov. 2019 Jan;14(1):9-22. doi: 10.1080/17460441.2019.1552936. Epub 2018 Dec 13.

PMID:
30484337
2.

Thorough characterization and stability of HP-β-cyclodextrin thymol inclusion complexes prepared by microwave technology: A required approach to a successful application in food industry.

Rodríguez-López MI, Mercader-Ros MT, López-Miranda S, Pellicer JA, Pérez-Garrido A, Pérez-Sánchez H, Núñez-Delicado E, Gabaldón JA.

J Sci Food Agric. 2019 Feb;99(3):1322-1333. doi: 10.1002/jsfa.9307. Epub 2018 Oct 10.

PMID:
30094851
3.

Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks.

Ghasemi F, Mehridehnavi A, Pérez-Garrido A, Pérez-Sánchez H.

Drug Discov Today. 2018 Oct;23(10):1784-1790. doi: 10.1016/j.drudis.2018.06.016. Epub 2018 Jun 21. Review. No abstract available.

PMID:
29936244
4.

Selective in vitro and in silico butyrylcholinesterase inhibitory activity of diterpenes and rosmarinic acid isolated from Perovskia atriplicifolia Benth. and Salvia glutinosa L.

Senol FS, Ślusarczyk S, Matkowski A, Pérez-Garrido A, Girón-Rodríguez F, Cerón-Carrasco JP, den-Haan H, Peña-García J, Pérez-Sánchez H, Domaradzki K, Orhan IE.

Phytochemistry. 2017 Jan;133:33-44. doi: 10.1016/j.phytochem.2016.10.012. Epub 2016 Nov 3.

PMID:
27817931
5.

Adherence to the "Mediterranean Diet" in Spain and Its Relationship with Cardiovascular Risk (DIMERICA Study).

Abellán Alemán J, Zafrilla Rentero MP, Montoro-García S, Mulero J, Pérez Garrido A, Leal M, Guerrero L, Ramos E, Ruilope LM.

Nutrients. 2016 Oct 28;8(11). pii: E680.

6.

Latest QSAR study of adenosine Α₂Β receptor affinity of xanthines and deazaxanthines.

Pérez-Garrido A, Rivero-Buceta V, Cano G, Kumar S, Pérez-Sánchez H, Bautista MT.

Mol Divers. 2015 Nov;19(4):975-89. doi: 10.1007/s11030-015-9608-0. Epub 2015 Jul 10.

PMID:
26160364
7.

Combining QSAR classification models for predictive modeling of human monoamine oxidase inhibitors.

Helguera AM, Pérez-Garrido A, Gaspar A, Reis J, Cagide F, Vina D, Cordeiro MN, Borges F.

Eur J Med Chem. 2013 Jan;59:75-90. doi: 10.1016/j.ejmech.2012.10.035. Epub 2012 Nov 1.

PMID:
23207409
8.

Topological sub-structural molecular design approach: radical scavenging activity.

Pérez-Garrido A, Helguera AM, Ruiz JM, Rentero PZ.

Eur J Med Chem. 2012 Mar;49:86-94. doi: 10.1016/j.ejmech.2011.12.030. Epub 2012 Jan 4.

PMID:
22244590
9.

Two new parameters based on distances in a receiver operating characteristic chart for the selection of classification models.

Pérez-Garrido A, Helguera AM, Borges F, Cordeiro MN, Rivero V, Escudero AG.

J Chem Inf Model. 2011 Oct 24;51(10):2746-59. doi: 10.1021/ci2003076. Epub 2011 Sep 29.

PMID:
21923162
10.

QSAR models to predict mutagenicity of acrylates, methacrylates and alpha,beta-unsaturated carbonyl compounds.

Pérez-Garrido A, Helguera AM, Rodríguez FG, Cordeiro MN.

Dent Mater. 2010 May;26(5):397-415. doi: 10.1016/j.dental.2009.11.158. Epub 2010 Feb 1.

PMID:
20122717
11.

A topological substructural molecular design approach for predicting mutagenesis end-points of alpha, beta-unsaturated carbonyl compounds.

Pérez-Garrido A, Helguera AM, López GC, Cordeiro MN, Escudero AG.

Toxicology. 2010 Jan 31;268(1-2):64-77. doi: 10.1016/j.tox.2009.11.023. Epub 2009 Dec 11.

PMID:
20004227
12.

QSPR modelling with the topological substructural molecular design approach: beta-cyclodextrin complexation.

Pérez-Garrido A, Helguera AM, Cordeiro MN, Escudero AG.

J Pharm Sci. 2009 Dec;98(12):4557-76. doi: 10.1002/jps.21747.

PMID:
19504577
13.

Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.

Pérez-Garrido A, Morales Helguera A, Abellán Guillén A, Cordeiro MN, Garrido Escudero A.

Bioorg Med Chem. 2009 Jan 15;17(2):896-904. doi: 10.1016/j.bmc.2008.11.040. Epub 2008 Nov 24.

PMID:
19056282
14.

Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity.

Pérez-Garrido A, González MP, Escudero AG.

Bioorg Med Chem. 2008 May 15;16(10):5720-32. doi: 10.1016/j.bmc.2008.03.070. Epub 2008 Mar 30.

PMID:
18406150

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