Special issue on flexible molecular descriptors

por Toropov, Andrey A., Castro, Eduardo A.
Publicado 2004

Protein quadratic indices of the "macromolecular pseudograph's α-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability

por Marrero Ponce, Yovani, Medina Marrero, Ricardo, Castro, Eduardo A., Armas, Ronal Ramos de, González Díaz, Humberto, Romero Zaldívar, Vicente, Torrens, Francisco
Publicado 2004

Predicting the bioconcentration factor through a conformation-independent QSPR study

Publicado 2017

Predicting the bioconcentration factor through a conformation-independent QSPR study

por Aranda, J.F., Bacelo, D.E., Leguizamón Aparicio, M.S., Ocsachoque, M.A., Castro, E.A., Duchowicz, P.R.

QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors

Publicado 2018

QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors

por Duchowicz, P.R., Bacelo, D.E., Fioressi, S.E., Palermo, V., Ibezim, N.E., Romanelli, G.P.

Conformation-independent quantitative structure-property relationships study on water solubility of pesticides

Publicado 2019

Conformation-independent quantitative structure-property relationships study on water solubility of pesticides

por Fioressi, S.E., Bacelo, D.E., Rojas, C., Aranda, J.F., Duchowicz, P.R.

Pharmacophore model for antiepileptic drugs acting on sodium channels

Publicado 2001

Pharmacophore model for antiepileptic drugs acting on sodium channels

por Tasso, S.M., Bruno-Blanch, L.E., Estiú, G.L.

The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants

Publicado 2017

The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants

por Ortiz, E.V., Bennardi, D.O., Bacelo, D.E., Fioressi, S.E., Duchowicz, P.R.

Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors

Publicado 2009

Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell line

Publicado 2014

Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors

por Rivera-Barroto, O.M., Marrero-Ponce, Y., Meneses-Marcel, A., Escario, J.A., Barrio, A.G., Arán, V.J., Alho, M.A.M., Pereira, D.M., Nogal, J.J., Torrens, F., Ibarra-Velarde, F., Montenegro, Y.V., Huesca-Guillén, A., Rivera, N., Vogel, C.

Multivariate SAR and QSAR of cucurbitacin derivatives as cytotoxic compounds in a human lung adenocarcinoma cell line

por Lang, K.L., Silva, I.T., Machado, V.R., Zimmermann, L.A., Caro, M.S.B., Simões, C.M.O., Schenkel, E.P., Durán, F.J., Bernardes, L.S.C., De Melo, E.B.

QSAR on antiproliferative naphthoquinones based on a conformation- independent approach

por Bonifazi, Evelyn Lucía, Burton, Gerardo
Publicado 2014

QSAR on antiproliferative naphthoquinones based on a conformation- independent approach

por Duchowicz, P.R., Bennardi, D.O., Bacelo, D.E., Bonifazi, E.L., Rios-Luci, C., Padrón, J.M., Burton, G., Misico, R.I.

Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones

Publicado 2014

Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones

por Martins Alho, M.A., Marrero-Ponce, Y., Barigye, S.J., Meneses-Marcel, A., Machado Tugores, Y., Montero-Torres, A., Gómez-Barrio, A., Nogal, J.J., García-Sánchez, R.N., Vega, M.C., Rolón, M., Martínez-Fernández, A.R., Escario, J.A., Pérez-Giménez, F., Garcia-Domenech, R., Rivera, N., Mondragón, R., Mondragón, M., Ibarra-Velarde, F., Lopez-Arencibia, A., Martín-Navarro, C., Lorenzo-Morales, J., Cabrera-Serra, M.G., Piñero, J., Tytgat, J., Chicharro, R., Arán, V.J.