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Bond-based linear indices of the non-stochastic and stochastic edge-adjacency matrix. 1. Theory and modeling of ChemPhys properties of organic molecules.
Mol Divers. 2010 Nov;14(4):731-53. doi: 10.1007/s11030-009-9201-5. Epub 2010 Jan 10.
Mol Divers. 2010.
PMID: 20063184
Non-stochastic and stochastic linear indices of the molecular pseudograph's atom-adjacency matrix: a novel approach for computational in silico screening and "rational" selection of new lead antibacterial agents.
Marrero-Ponce Y, Marrero RM, Torrens F, Martinez Y, Bernal MG, Zaldivar VR, Castro EA, Abalo RG.
Marrero-Ponce Y, et al. Among authors: zaldivar vr.
J Mol Model. 2006 Feb;12(3):255-71. doi: 10.1007/s00894-005-0024-8. Epub 2005 Nov 4.
J Mol Model. 2006.
PMID: 16270182
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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: zaldivar vr.
Molecules. 2004 Dec 31;9(12):1100-23. doi: 10.3390/91201100.
Molecules. 2004.
PMID: 18007507
Free PMC article.
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3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.
Ponce YM, Diaz HG, Zaldivar VR, Torrens F, Castro EA.
Ponce YM, et al. Among authors: zaldivar vr.
Bioorg Med Chem. 2004 Oct 15;12(20):5331-42. doi: 10.1016/j.bmc.2004.07.051.
Bioorg Med Chem. 2004.
PMID: 15388160
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Protein quadratic indices of the "macromolecular pseudograph's alpha-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability.
Ponce YM, Marrero RM, Castro EA, Ramos de Armas R, Díaz HG, Zaldivar VR, Torrens F.
Ponce YM, et al. Among authors: zaldivar vr.
Molecules. 2004 Dec 31;9(12):1124-47. doi: 10.3390/91201124.
Molecules. 2004.
PMID: 18007508
Free PMC article.
Review.
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