@article{DBLP:journals/ncs/AtwiCHMMR22,
author = {Rasha Atwi and
Ying Chen and
Keesung Han and
Karl T. Mueller and
Vijayakumar Murugesan and
Nav Nidhi Rajput},
title = {An automated framework for high-throughput predictions of {NMR} chemical
shifts within liquid solutions},
journal = {Nat. Comput. Sci.},
volume = {2},
number = {2},
pages = {112--122},
year = {2022},
url = {https://doi.org/10.1038/s43588-022-00200-9},
doi = {10.1038/S43588-022-00200-9},
timestamp = {Mon, 15 Apr 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/ncs/AtwiCHMMR22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2105-12638,
author = {Gihan Panapitiya and
Michael Girard and
Aaron Hollas and
Vijay Murugesan and
Wei Wang and
Emily Saldanha},
title = {Predicting Aqueous Solubility of Organic Molecules Using Deep Learning
Models with Varied Molecular Representations},
journal = {CoRR},
volume = {abs/2105.12638},
year = {2021},
url = {https://arxiv.org/abs/2105.12638},
eprinttype = {arXiv},
eprint = {2105.12638},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/corr/abs-2105-12638.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/abs-2106-08146,
author = {Peiyuan Gao and
Xiu Yang and
Yu{-}Hang Tang and
Muqing Zheng and
Amity Anderson and
Vijayakumar Murugesan and
Aaron Hollas and
Wei Wang},
title = {Graphical Gaussian Process Regression Model for Aqueous Solvation
Free Energy Prediction of Organic Molecules in Redox Flow Battery},
journal = {CoRR},
volume = {abs/2106.08146},
year = {2021},
url = {https://arxiv.org/abs/2106.08146},
eprinttype = {arXiv},
eprint = {2106.08146},
timestamp = {Tue, 29 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/corr/abs-2106-08146.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
