Risultati ricerca autore

1

Kérwá

Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model

di Viayna Gaza, Antonio, Pinheiro, Silvana De Souza, Curutchet, Carles, Luque del Villar, Francisco Javier, Zamora Ramírez, William J.

Pubblicazione 2021

Istituzione: Universidad de Costa Rica

Repositorio: Kérwá

2

Kérwá

Prediction of toluene/water partition coefficient in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models

di Zamora Ramírez, William J., Viayna Gaza, Antonio, Pinheiro, Silvana De Souza, Curutchet, Carles, Bisbal, Laia, Ruiz, Rebeca, Ràfols Pérez, Clara, Luque del Villar, Francisco Javier

Pubblicazione 2023

Istituzione: Universidad de Costa Rica

Repositorio: Kérwá