- Tytuł:
-
Leveraging DFT and Molecular Fragmentation for Chemically Accurate p K
a Prediction Using Machine Learning. - Autorzy:
- Źródło:
- Journal of chemical information and modeling [J Chem Inf Model] 2024 Feb 12; Vol. 64 (3), pp. 712-723. Date of Electronic Publication: 2024 Feb 01.
- Typ publikacji:
- Journal Article
- MeSH Terms:
-
Quantum Theory *
Models, Chemical*
Thermodynamics ; Machine Learning
Czasopismo naukowe