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

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

Publicado 2019

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

Publicado 2014

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

Publicado 2017

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

Publicado 2018

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

Publicado 2009

Predicting the bioconcentration factor through a conformation-independent QSPR study

Publicado 2017

Pharmacophore model for antiepileptic drugs acting on sodium channels

Publicado 2001

QSAR on antiproliferative naphthoquinones based on a conformation- independent approach

por Bonifazi, Evelyn Lucía, Burton, Gerardo
Publicado 2014

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

Publicado 2014

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.

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.

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.

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.

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.

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.

Pharmacophore model for antiepileptic drugs acting on sodium channels

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

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.

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.