Lista de obras - Antonio de la Vega de León

Advancing the activity cliff concept, part II.

artículo científico publicado en 2014

Chemical space visualization: transforming multidimensional chemical spaces into similarity-based molecular networks

artículo científico publicado en 2016

Compound optimization through data set-dependent chemical transformations

artículo científico publicado en 2013

Design of a three-dimensional multitarget activity landscape

artículo científico publicado en 2012

Design of chemical space networks incorporating compound distance relationships

artículo científico publicado en 2016

Effect of missing data on multitask prediction methods.

artículo científico publicado en 2018

Formation of activity cliffs is accompanied by systematic increases in ligand efficiency from lowly to highly potent compounds

artículo científico publicado en 2014

Identification of a series of hair-cell MET channel blockers that protect against aminoglycoside-induced ototoxicity

artículo científico publicado en 2021

Identification of compounds that rescue otic and myelination defects in the zebrafish adgrg6 (gpr126) mutant

artículo científico publicado en 2019

Matched molecular pair-based data sets for computer-aided medicinal chemistry

artículo científico publicado en 2014

Monitoring the Progression of Structure-Activity Relationship Information during Lead Optimization

artículo científico publicado en 2015

Predicting bioactive conformations and binding modes of macrocycles

artículo científico publicado en 2016

Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression

artículo científico publicado en 2016

Prediction of compound potency changes in matched molecular pairs using support vector regression

artículo científico publicado en 2014

Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors

artículo científico publicado en 2015

Systematic Identification of Matching Molecular Series and Mapping of Screening Hits

artículo científico publicado en 2014

Visualization of multi-property landscapes for compound selection and optimization

artículo científico publicado en 2015

Lista de obras de Antonio de la Vega de León

Advancing the activity cliff concept, part II.

Chemical space visualization: transforming multidimensional chemical spaces into similarity-based molecular networks

Compound optimization through data set-dependent chemical transformations

Design of a three-dimensional multitarget activity landscape

Design of chemical space networks incorporating compound distance relationships

Effect of missing data on multitask prediction methods.

Formation of activity cliffs is accompanied by systematic increases in ligand efficiency from lowly to highly potent compounds

Identification of a series of hair-cell MET channel blockers that protect against aminoglycoside-induced ototoxicity

Identification of compounds that rescue otic and myelination defects in the zebrafish adgrg6 (gpr126) mutant

Matched molecular pair-based data sets for computer-aided medicinal chemistry

Monitoring the Progression of Structure-Activity Relationship Information during Lead Optimization

Predicting bioactive conformations and binding modes of macrocycles

Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression

Prediction of compound potency changes in matched molecular pairs using support vector regression

Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors

Systematic Identification of Matching Molecular Series and Mapping of Screening Hits

Visualization of multi-property landscapes for compound selection and optimization