Ernesto Estrada

2007
29	EE	Ernesto Estrada, Eugenio Uriarte: Erratum to "Folding degrees of azurins and pseudoazurins. Implications for structure and function" [Computational Biology and Chemistry 29 (2005) 345-353]. Computational Biology and Chemistry 31(4): 303 (2007)
28	EE	Ernesto Estrada: Point scattering: A new geometric invariant with applications from (Nano)clusters to biomolecules. Journal of Computational Chemistry 28(4): 767-777 (2007)
2005
27	EE	Ernesto Estrada, Eugenio Uriarte: Folding degrees of azurins and pseudoazurins: Implications for structure and function. Computational Biology and Chemistry 29(5): 345-353 (2005)
26	EE	Santiago Vilar, Ernesto Estrada, Eugenio Uriarte, Lourdes Santana, Yaquelin Gutierrez: In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds through the Use of TOPS-MODE and 2D/3D Connectivity Indices. 2. Purine Derivatives. Journal of Chemical Information and Modeling 45(2): 502-514 (2005)
2004
25	EE	Ernesto Estrada, Grace Patlewicz, Yaquelin Gutierrez: From Knowledge Generation to Knowledge Archive. A General Strategy Using TOPS-MODE with DEREK To Formulate New Alerts for Skin Sensitization. Journal of Chemical Information and Modeling 44(2): 688-698 (2004)
24	EE	Ernesto Estrada: A Protein Folding Degree Measure and Its Dependence on Crystal Packing, Protein Size, Secondary Structure, and Domain Structural Class. Journal of Chemical Information and Modeling 44(4): 1238-1250 (2004)
2003
23	EE	Ernesto Estrada: Application of a novel graph-theoretic folding degree index to the study of steroid-DB3 antibody binding affinity. Computational Biology and Chemistry 27(3): 305-313 (2003)
22	EE	Ernesto Estrada, Humberto González: What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors. Journal of Chemical Information and Computer Sciences 43(1): 75-84 (2003)
2002
21		Ernesto Estrada: Characterization of the folding degree of proteins. Bioinformatics 18(5): 697-704 (2002)
20	EE	Ernesto Estrada, Santiago Vilar, Eugenio Uriarte, Yaquelin Gutierrez: In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds with the Use of TOPS-MODE and 2D/3D Connectivity Indices, 1. Pyrimidyl Derivatives. Journal of Chemical Information and Computer Sciences 42(5): 1194-1203 (2002)
2001
19	EE	Ernesto Estrada, Enrique Molina: 3D Connectivity Indices in QSPR/QSAR Studies. Journal of Chemical Information and Computer Sciences 41(3): 791-797 (2001)
18	EE	Ernesto Estrada, Enrique Molina, Iliana Perdomo-López: Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors? Journal of Chemical Information and Computer Sciences 41(4): 1015-1021 (2001)
17	EE	Ernesto Estrada, Iliana Perdomo-López, Juan J. Torres-Labandeira: Combination of 2D-, 3D-Connectivity and Quantum Chemical Descriptors in QSPR. Complexation of - and -Cyclodextrin with Benzene Derivatives. Journal of Chemical Information and Computer Sciences 41(6): 1561-1568 (2001)
2000
16	EE	Ernesto Estrada: A Computer-based Approach to Describe the 13C NMR Chemical Shifts of Alkanes by the Generalized Spectral Moments of Iterated Line Graphs. Computers & Chemistry 24(2): 193-201 (2000)
15	EE	Ernesto Estrada, Yaquelin Gutierrez, Humberto González: Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE Approach. Journal of Chemical Information and Computer Sciences 40(6): 1386-1399 (2000)
1999
14	EE	Ernesto Estrada: Generalized Spectral Moments of the Iterated Line Graphs Sequence. A Novel Approach to QSPR Studies. Journal of Chemical Information and Computer Sciences 39(1): 90-95 (1999)
13	EE	Ernesto Estrada, Lissette Rodríguez: Edge-Connectivity Indices in QSPR/QSAR Studies, 1. Comparison to Other Topological Indices in QSPR Studies. Journal of Chemical Information and Computer Sciences 39(6): 1037-1041 (1999)
12	EE	Ernesto Estrada: Edge-Connectivity Indices in QSPR/QSAR Studies, 2. Accounting for Long-Range Bond Contributions. Journal of Chemical Information and Computer Sciences 39(6): 1042-1048 (1999)
1998
11	EE	Ernesto Estrada: Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 3. Molecules Containing Cycles. Journal of Chemical Information and Computer Sciences 38(1): 23-27 (1998)
10	EE	Ernesto Estrada, Nicolais Guevara, Ivan Gutman: Extension of Edge Connectivity Index. Relationships to Line Graph Indices and QSPR Applications. Journal of Chemical Information and Computer Sciences 38(3): 428-431 (1998)
1997
9	EE	Ernesto Estrada: Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs, 2. Molecules Containing Heteroatoms and QSAR Applications. Journal of Chemical Information and Computer Sciences 37(2): 320-328 (1997)
1996
8	EE	Ivan Gutman, Ernesto Estrada: Topological Indices Based on the Line Graph of the Molecular Graph. Journal of Chemical Information and Computer Sciences 36(3): 541-543 (1996)
7	EE	Ernesto Estrada, Alain Ramírez: Edge Adjacency Relationships and Molecular Topographic Descriptors. Definition and QSAR Applications. Journal of Chemical Information and Computer Sciences 36(4): 837-843 (1996)
6	EE	Ernesto Estrada: Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs, 1. Definition and Applications to the Prediction of Physical Properties of Alkanes. Journal of Chemical Information and Computer Sciences 36(4): 844-849 (1996)
5	EE	Ernesto Estrada, Ivan Gutman: A Topological Index Based on Distances of Edges of Molecular Graphs. Journal of Chemical Information and Computer Sciences 36(4): 850-853 (1996)
1995
4		Ernesto Estrada: Edge Adjacency Relationships and a Novel Topological Index Related to Molecular Volume. Journal of Chemical Information and Computer Sciences 35(1): 31-33 (1995)
3		Ernesto Estrada: Edge adjacency relationships in molecular graphs containing heteroatoms: a new topological index related to molar volume. Journal of Chemical Information and Computer Sciences 35(4): 701-707 (1995)
2		Ernesto Estrada: Three-Dimensional Molecular Descriptors Based on Electron Charge Density Weighted Graphs. Journal of Chemical Information and Computer Sciences 35(4): 708-713 (1995)
1		Ernesto Estrada: Graph Theoretical Invariant of Randic Revisited. Journal of Chemical Information and Computer Sciences 35(6): 1022-1025 (1995)

Coauthor Index

1	Humberto González	[15] [22]
2	Nicolais Guevara	[10]
3	Yaquelin Gutierrez	[15] [20] [25] [26]
4	Ivan Gutman	[5] [8] [10]
5	Enrique Molina	[18] [19]
6	Grace Patlewicz	[25]
7	Iliana Perdomo-López	[17] [18]
8	Alain Ramírez	[7]
9	Lissette Rodríguez	[13]
10	Lourdes Santana	[26]
11	Juan J. Torres-Labandeira	[17]
12	Eugenio Uriarte	[20] [26] [27] [29]
13	Santiago Vilar	[20] [26]

Colors in the list of coauthors