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Graph-Based Approaches for Predicting Solvation Energy in M..:

Logan Ward (5867709) ; Naveen Dandu (1295247) ; Ben Blaiszik (726848)...
https://figshare.com/articles/journal_contribution/Graph-Based_Approaches_for_Predicting_Solvation_Energy_in_Multiple_Solvents_Open_Datasets_and_Machine_Learning_Models/14887868. , 2021

Link: https://doi.org/10.1021/acs.jpca.1c01960.s001

RT Journal
T1 <Title>Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_14887868&Exemplar=1&LAN=DE
				
A1 Logan Ward (5867709)
A1 Naveen Dandu (1295247)
A1 Ben Blaiszik (726848)
A1 Badri Narayanan (2830499)
A1 Rajeev S. Assary (1283331)
A1 Paul C. Redfern (1310589)
A1 Ian Foster (1844626)
A1 Larry A. Curtiss (1234680)
YR 2021
K1 Biophysics
K1 Biochemistry
K1 Neuroscience
K1 Biotechnology
K1 Computational Biology
K1 Biological Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 SMILES
K1 quantum chemistry calculations
K1 14 non-hydrogen atoms
K1 quantum chemical simulations
K1 QM 9 dataset
K1 energy storage materials
K1 solvation energy model
K1 solvation energies
K1 Machine Learning Models
K1 molecule
JF https://figshare.com/articles/journal_contribution/Graph-Based_Approaches_for_Predicting_Solvation_Energy_in_Multiple_Solvents_Open_Datasets_and_Machine_Learning_Models/14887868
LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.1c01960.s001
DO https://doi.org/10.1021/acs.jpca.1c01960.s001
SF ELIB - SuUB Bremen

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