Rotondo R.
59
Coauthors
10
Documentos
Volumen de publicaciones por año
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| Año de publicación | Num. Publicaciones |
|---|---|
| 2006 | 2 |
| 2007 | 6 |
| 2008 | 2 |
Publicaciones por áreas de conocimiento
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| Área de conocimiento | Num. Publicaciones |
|---|---|
| Descubrimiento de fármacos | 5 |
| Farmacología | 5 |
| Relación cuantitativa estructura-actividad | 3 |
| Química ambiental | 2 |
| Bioquímica | 2 |
| Ciencias de la computación | 1 |
Publicaciones por áreas temáticas
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| Área temática | Num. Publicaciones |
|---|---|
| Farmacología y terapéutica | 4 |
| Química física | 3 |
| Química y ciencias afines | 2 |
| Medicina y salud | 2 |
| Química analítica | 2 |
| Ciencias de la computación | 2 |
| Química orgánica | 1 |
| Química inorgánica | 1 |
| Física aplicada | 1 |
| Bioquímica | 1 |
Principales fuentes de datos
| Origen | Num. Publicaciones |
|---|---|
| Scopus | 10 |
| Google Scholar | 5 |
| RRAAE | 0 |
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Coautores destacados por número de publicaciones
| Coautor | Num. Publicaciones |
|---|---|
| Torrens F. | 10 |
| Yovani Marrero-Ponce | 10 |
| Khan M.T.H. | 5 |
| Gerardo M. Casañola-Martin | 5 |
| Ather A. | 5 |
| Garit J. | 4 |
| Alvarado Y.J. | 3 |
| Sultankhodzhaev M.N. | 3 |
| Castro E.A. | 1 |
| Escobar J. | 1 |
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Publicaciones del autor
Atom-based stochastic and non-stochastic 3D-chiral bilinear indices and their applications to central chirality codification
ArticleAbstract: Non-stochastic and stochastic 2D bilinear indices have been generalized to codify chemical structurePalabras claves:3D-QSAR, Angiotensin-converting enzyme inhibitor, Discriminant analysis, multiple linear regression, Non-stochastic and stochastic 3D-chiral bilinear indices, Steroid binding affinity, σ-Receptor antagonistAutores:Garit J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusBond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals
ArticleAbstract: The concept of atom-based quadratic indices is extended to a series of molecular descriptors (MDs) (Palabras claves:2-furylethylene, Alkyl-alcohol, edge-adjacency matrix, Non-Stochastic and Stochastic Bond-Based Quadratic Indices, octane isomers, Physicochemical property, QSPR model, QSPR study, Stochastic matrix, ToMoCoMD-CARDD softwareAutores:Alvarado Y.J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopus3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: Theory and QSAR applications to central chirality codification
ArticleAbstract: The history of the use of chiral descriptors in Quantitative structure-activity relationships (QSAR)Palabras claves:3D-QSAR, Angiotesin-converting enzyme inhibitors, Binding affinity of steroids, Non-Stochastic and Stochastic 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors, σ-Receptor antagonistsAutores:Castro E.A., Garit J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusA novel approach to pbkp_redict aquatic toxicity from molecular structure
ArticleAbstract: The main aim of the study was to develop quantitative structure-activity relationship (QSAR) modelsPalabras claves:Atom-based non-stochastic and stochastic linear index, multiple linear regression, Program TOMOCOMD-CARDD, QSAR, Tetrahymena pyriformisAutores:Escobar J., Garit J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusDragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays
ArticleAbstract: QSAR (quantitative structure-activity relationship) studies of tyrosinase inhibitors employing DragoPalabras claves:Bipiperidine series, dragon descriptor, LDA-Based QSAR Model, Tyrosinase inhibitor, Virtual ScreeningAutores:Ather A., Gerardo M. Casañola-Martin, Khan K., Khan M.T.H., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:scopus