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Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning
Research article (Journal of Chemical Information and Modeling, 2024) · cited 10× · AI/ML
Leveraging DFT and Molecular Fragmentation for Chemically Accurate pKa Prediction Using Machine Learning
Summary
Leveraging DFT and Molecular Fragmentation for Chemically Accurate pKa Prediction Using Machine Learning is a scholarly article[1].
Key Facts
Leveraging DFT and Molecular Fragmentation for Chemically Accurate pKa Prediction Using Machine Learning's instance of is recorded as scholarly article[2].
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APA4ort.xyz Knowledge Graph. (2026). Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning. Retrieved May 24, 2026, from https://4ort.xyz/entity/leveraging-dft-and-molecular-fragmentation-for-chemically-accurate-p-i-k-i-sub-a-sub-prediction-using-machine-learning
MLA“Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning.” 4ort.xyz Knowledge Graph, 4ort.xyz, 24 May. 2026, https://4ort.xyz/entity/leveraging-dft-and-molecular-fragmentation-for-chemically-accurate-p-i-k-i-sub-a-sub-prediction-using-machine-learning.
BibTeX@misc{4ortxyz_leveraging-dft-and-molecular-fragmentation-for-chemically-accurate-p-i-k-i-sub-a-sub-prediction-using-machine-learning_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning}}, year = {2026}, url = {https://4ort.xyz/entity/leveraging-dft-and-molecular-fragmentation-for-chemically-accurate-p-i-k-i-sub-a-sub-prediction-using-machine-learning}, note = {Accessed: 2026-05-24}}
LLM promptAccording to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning — https://4ort.xyz/entity/leveraging-dft-and-molecular-fragmentation-for-chemically-accurate-p-i-k-i-sub-a-sub-prediction-using-machine-learning (retrieved 2026-05-24)
