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Molina, E.; Estrada, E.; Nodarse, D.; Torres, L.A.; Gonzalez, H.; Uriarte, E. Quantitative structure-antibacterial activity relationship modeling using a combination of piecewise linear regression-discriminant analysis (I): Quantum chemical, topographic, and topological descriptors. International Journal of Quantum Chemistry 108, 2008, 1856-1871.

Molina, E.; Estrada, E.; Nodarse, D.; Torres, L.A.; Gonzalez, H.; Uriarte, E. Quantitative structure-antibacterial activity relationship modeling using a combination of piecewise linear regression-discriminant analysis (I): Quantum chemical, topographic, and topological descriptors. International Journal of Quantum Chemistry 108, 2008, 1856-1871. [PDF]

Estrada, E. How the Parts Organize in the Whole? A Top-Down View of Molecular Descriptors and Properties for QSAR and Drug Design. Mini Reviews in Medicinal Chemistry 8, 2008, 213-221.

Estrada, E. How the Parts Organize in the Whole? A Top-Down View of Molecular Descriptors and Properties for QSAR and Drug Design. Mini Reviews in Medicinal Chemistry 8, 2008, 213-221. [PDF]

Estrada, E.; Matamala, A. Generalized Topological Indices. Modeling Gas-Phase Rate Coefficients of Atmospheric Relevance. Journal of Chemical Information & Modeling 47, 2007, 794-804.

Estrada, E.; Matamala, A. Generalized Topological Indices. Modeling Gas-Phase Rate Coefficients of Atmospheric Relevance. Journal of Chemical Information & Modeling 47, 2007, 794-804. [PDF]

Estrada, E.; Diaz, G. A.; Delgado, E. Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors. Journal of Computer-Aided Molecular Design 20, 2006, 539-548.

Estrada, E.; Diaz, G. A.; Delgado, E. Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors. Journal of Computer-Aided Molecular Design 20, 2006, 539-548. [PDF]

Estrada, E.; Simon-Manso, Y. Rational Design and First Principles Studies Toward the Discovery of a Small and Versatile New Type of Proton Sponge. Angewandte Chemie, International Edition, 45, 2006, 1719-1721

Estrada, E.; Simon-Manso, Y. Rational Design and First Principles Studies Toward the Discovery of a Small and Versatile New Type of Proton Sponge. Angewandte Chemie, International Edition, 45, 2006, 1719-1721. [PDF]

Estrada, E.; Molina, E. Automatic Extraction of Structural Alerts for Predicting Chromosome Aberrations of Organic Compounds. Journal of Molecular Graphics and Modelling, 25, 2006, 275-288.

Estrada, E.; Molina, E. Automatic Extraction of Structural Alerts for Predicting Chromosome Aberrations of Organic Compounds. Journal of Molecular Graphics and Modelling, 25, 2006, 275-288. [PDF]

Pisco, L.; Kordian, M.; Peseke, K.; Feist, H.; Michalik, D.; Estrada, E.; Carvalho, J.; Quincoces, J. Synthesis of compounds with antiproliferative activity as analogues of prenylated natural products existing in Brazilian propolis. European Journal of Medicinal Chemistry, 41, 2006, 401-407.

Pisco, L.; Kordian, M.; Peseke, K.; Feist, H.; Michalik, D.; Estrada, E.; Carvalho, J.; Quincoces, J. Synthesis of compounds with antiproliferative activity as analogues of prenylated natural products existing in Brazilian propolis. European Journal of Medicinal Chemistry, 41, 2006, 401-407. [PDF]

Estrada, E.; Uriarte, E.; Molina, E.; Simon-Manso, Y.; Milne, G. W. A. An integrated in silico analysis of drug-binding to human serum albumin. Journal of Chemical Information and Modeling 46, 2006, 2709-2724.

Estrada, E.; Uriarte, E.; Molina, E.; Simon-Manso, Y.; Milne, G. W. A. An integrated in silico analysis of drug-binding to human serum albumin. Journal of Chemical Information and Modeling 46, 2006, 2709-2724. [PDF]

Vilar, S.; Estrada, E.; Uriarte, E.; Santana, L.; Gutierrez, Y. 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, 2005, 502-514.

Vilar, S.; Estrada, E.; Uriarte, E.; Santana, L.; Gutierrez, Y. 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, 2005, 502-514. [PDF]

Sosted, H.; Basketter, D. A.; Estrada, E.; Johansen, J. D.; Patlewicz, G. Y. Ranking of hair dye substances according to predicted sensitisation potency: quantitative structure-activity relationships. Contact Dermatitis 51, 2004, 241-254.

Sosted, H.; Basketter, D. A.; Estrada, E.; Johansen, J. D.; Patlewicz, G. Y. Ranking of hair dye substances according to predicted sensitisation potency: quantitative structure-activity relationships. Contact Dermatitis 51, 2004, 241-254.