Skip to content

Commit

Permalink
fix missing dois in bibliography
Browse files Browse the repository at this point in the history
see this comment from the JOSS editorial bot: openjournals/joss-reviews#5996 (comment)
  • Loading branch information
JacksonBurns committed Oct 31, 2023
1 parent b89c822 commit df4df7a
Showing 1 changed file with 21 additions and 3 deletions.
24 changes: 21 additions & 3 deletions paper.bib
Original file line number Diff line number Diff line change
Expand Up @@ -56,6 +56,7 @@ @article{wang2020machine
number={12},
pages={4954--4965},
year={2020},
doi={10.1021/acs.chemmater.0c01907.s001},
publisher={ACS Publications}
}

Expand All @@ -80,6 +81,7 @@ @article{ramakrishnan2014quantum
number={1},
pages={1--7},
year={2014},
doi={10.1038/sdata.2014.22},
publisher={Nature Publishing Group}
}

Expand All @@ -91,6 +93,7 @@ @article{ruddigkeit_GDB-17_2012
number={11},
pages={2864--2875},
year={2012},
doi={10.1021/ci300415d},
publisher={ACS Publications}
}

Expand All @@ -102,6 +105,7 @@ @article{spiekermann2022high
number={1},
pages={1--12},
year={2022},
doi={10.1038/s41597-022-01529-6},
publisher={Nature Publishing Group}
}

Expand All @@ -125,6 +129,7 @@ @article{spiekermann2022fast
number={25},
pages={3976--3986},
year={2022},
doi={10.1021/acs.jpca.2c02614},
publisher={ACS Publications}
}

Expand Down Expand Up @@ -176,6 +181,7 @@ @article{komp2022progress
year={2022},
publisher={Royal Society of Chemistry},
volume={24},
doi={10.1039/d1cp04422b},
pages={2692--2705},
}

Expand Down Expand Up @@ -203,6 +209,7 @@ @article{meredig2018can
volume={3},
number={5},
pages={819--825},
doi={10.1039/d1cp04422b},
year={2018},
publisher={Royal Society of Chemistry}
}
Expand All @@ -217,6 +224,7 @@ @article{durdy2022random
volume={1},
pages={763--778},
year={2022},
doi={10.1039/d2dd00039c},
publisher={Royal Society of Chemistry}
}

Expand All @@ -228,6 +236,7 @@ @article{tricarico2022construction
title={Construction of Balanced, Chemically Dissimilar Training, Validation and Test Sets for Machine Learning on Molecular Datasets},
author={Tricarico, Giovanni A. and Hofmans, Johan and Lenselink, Eelke B. and Ramos, Miriam L{\'o}pez and Dr{\'e}anic, Marie-Pierre and Stouten, Pieter FW},
year={2022},
doi={10.26434/chemrxiv-2022-m8l33-v2},
journal={10.26434/chemrxiv-2022-m8l33}
}

Expand All @@ -241,6 +250,7 @@ @article{terrones2023low
volume={14},
pages={1419--1433},
year={2023},
doi={10.1039/d2sc06150c},
publisher={Royal Society of Chemistry}
}

Expand Down Expand Up @@ -269,6 +279,7 @@ @article{stuyver2022quantum
number={8},
pages={084104},
year={2022},
doi={10.1063/5.0079574},
publisher={AIP Publishing LLC}
}

Expand All @@ -285,6 +296,7 @@ @article{heinen2021toward
number={6},
pages={064105},
year={2021},
doi={10.1063/5.0059742},
publisher={AIP Publishing LLC}
}
% we developed a graph-based neural network architecture and applied it to the problem of predicting the viscosity of binary liquid mixtures as a function of composition and temperature
Expand All @@ -297,7 +309,8 @@ @article{bilodeau2023machine
journal={Chem. Eng. J.},
pages={142454},
year={2023},
publisher={Elsevier}
publisher={Elsevier},
doi={10.2139/ssrn.4289793}
}

% With this leave-one-reaction-out validation approach, we observed a MAE of 1.00 kcal mol−1 for GPRM3/2 (compared to 0.80 kcal mol−1 from normal cross-validation)
Expand All @@ -307,6 +320,7 @@ @article{jorner2021machine
author={Jorner, Kjell and Brinck, Tore and Norrby, Per-Ola and Buttar, David},
journal={Chem. Sci.},
volume={12},
doi={10.26434/chemrxiv.12758498},
number={3},
pages={1163--1175},
year={2021},
Expand All @@ -331,6 +345,7 @@ @article{bemis1996properties
number={15},
pages={2887--2893},
year={1996},
doi={10.1021/jm9602928},
publisher={ACS Publications}
}

Expand All @@ -343,6 +358,7 @@ @article{morgan1965generation
number={2},
pages={107--113},
year={1965},
doi={10.1021/c160017a018},
publisher={ACS Publications}
}

Expand All @@ -355,6 +371,7 @@ @article{rogers2010extended
number={5},
pages={742--754},
year={2010},
doi={10.1021/ci100050t},
publisher={ACS Publications}
}

Expand All @@ -367,6 +384,7 @@ @article{yang2019analyzing
number={8},
pages={3370--3388},
year={2019},
doi={10.1021/acs.jcim.9b00237.s001},
publisher={ACS Publications}
}

Expand All @@ -378,8 +396,8 @@ @article{aimsim_cpc
pages = {108579},
year = {2023},
issn = {0010-4655},
doi = {https://doi.org/10.1016/j.cpc.2022.108579},
doi = {10.1016/j.cpc.2022.108579},
url = {https://www.sciencedirect.com/science/article/pii/S0010465522002983},
author = {Himaghna Bhattacharjee and Jackson Burns and Dionisios G. Vlachos},
keywords = {Cheminformatics, Molecular fingerprints, Similarity, Data visualization, Open-source software},
}
}

0 comments on commit df4df7a

Please sign in to comment.