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A review of QSAR studies to discover new drug-like compounds actives against leishmaniasis and trypanosomiasis.
Curr Top Med Chem. 2012;12(8):852-65. doi: 10.2174/156802612800166756.
Curr Top Med Chem. 2012.
PMID: 22352913
Review.
Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening.
Castillo-Garit JA, del Toro-Cortés O, Vega MC, Rolón M, Rojas de Arias A, Casañola-Martin GM, Escario JA, Gómez-Barrio A, Marrero-Ponce Y, Torrens F, Abad C.
Castillo-Garit JA, et al.
Eur J Med Chem. 2015;96:238-44. doi: 10.1016/j.ejmech.2015.03.063. Epub 2015 Mar 30.
Eur J Med Chem. 2015.
PMID: 25884114
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Computational Identification of Chemical Compounds with Potential Activity against Leishmania amazonensis using Nonlinear Machine Learning Techniques.
Castillo-Garit JA, Flores-Balmaseda N, Álvarez O, Pham-The H, Pérez-Doñate V, Torrens F, Pérez-Giménez F.
Castillo-Garit JA, et al.
Curr Top Med Chem. 2018;18(27):2347-2354. doi: 10.2174/1568026619666181130121558.
Curr Top Med Chem. 2018.
PMID: 30499402
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Ligand-based discovery of novel trypanosomicidal drug-like compounds: in silico identification and experimental support.
Castillo-Garit JA, Vega MC, Rolón M, Marrero-Ponce Y, Gómez-Barrio A, Escario JA, Bello AA, Montero A, Torrens F, Pérez-Giménez F, Arán VJ, Abad C.
Castillo-Garit JA, et al.
Eur J Med Chem. 2011 Aug;46(8):3324-30. doi: 10.1016/j.ejmech.2011.04.057. Epub 2011 May 5.
Eur J Med Chem. 2011.
PMID: 21605926
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Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis.
Castillo-Garit JA, Vega MC, Rolon M, Marrero-Ponce Y, Kouznetsov VV, Torres DF, Gómez-Barrio A, Bello AA, Montero A, Torrens F, Pérez-Giménez F.
Castillo-Garit JA, et al.
Eur J Pharm Sci. 2010 Jan 31;39(1-3):30-6. doi: 10.1016/j.ejps.2009.10.007. Epub 2009 Oct 23.
Eur J Pharm Sci. 2010.
PMID: 19854271
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Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": application to QSPR/QSAR studies of organic compounds.
Ponce YM, Garit JA, Torrens F, Zaldivar VR, Castro EA.
Ponce YM, et al. Among authors: garit ja.
Molecules. 2004 Dec 31;9(12):1100-23. doi: 10.3390/91201100.
Molecules. 2004.
PMID: 18007507
Free PMC article.
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