Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models
Zamora, William J, Viayna, Antonio, Pinheiro, Silvana, Curutchet, Carles, Bisbal, Laia, Ruiz, Rebeca, Ràfols, Clara, Luque, F. Javier
Published in Physical chemistry chemical physics : PCCP (12.07.2023)
Published in Physical chemistry chemical physics : PCCP (12.07.2023)
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