| Year |
Citation |
Score |
| 2023 |
Heid E, Greenman KP, Chung Y, Li SC, Graff DE, Vermeire FH, Wu H, Green WH, McGill CJ. Chemprop: A Machine Learning Package for Chemical Property Prediction. Journal of Chemical Information and Modeling. 64: 9-17. PMID 38147829 DOI: 10.1021/acs.jcim.3c01250 |
0.647 |
|
| 2023 |
Koscher BA, Canty RB, McDonald MA, Greenman KP, McGill CJ, Bilodeau CL, Jin W, Wu H, Vermeire FH, Jin B, Hart T, Kulesza T, Li SC, Jaakkola TS, Barzilay R, et al. Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back. Science (New York, N.Y.). 382: eadi1407. PMID 38127734 DOI: 10.1126/science.adi1407 |
0.676 |
|
| 2023 |
Heid E, McGill CJ, Vermeire FH, Green WH. Characterizing Uncertainty in Machine Learning for Chemistry. Journal of Chemical Information and Modeling. PMID 37338239 DOI: 10.1021/acs.jcim.3c00373 |
0.722 |
|
| 2021 |
Clark JA, Thacker PJ, McGill CJ, Miles JR, Westmoreland PR, Efimenko K, Genzer J, Santiso EE. DFT Analysis of Organotin Catalytic Mechanisms in Dehydration Esterification Reactions for Terephthalic Acid and 2,2,4,4-Tetramethyl-1,3-cyclobutanediol. The Journal of Physical Chemistry. A. PMID 34101445 DOI: 10.1021/acs.jpca.1c00850 |
0.582 |
|
| 2021 |
McGill C, Forsuelo M, Guan Y, Green WH. Predicting Infrared Spectra with Message Passing Neural Networks. Journal of Chemical Information and Modeling. PMID 34048221 DOI: 10.1021/acs.jcim.1c00055 |
0.61 |
|
| 2018 |
McGill CJ, Westmoreland PR. Monosaccharide Isomer Interconversions Become Significant at High Temperatures. The Journal of Physical Chemistry. A. PMID 30484643 DOI: 10.1021/Acs.Jpca.8B07217 |
0.587 |
|
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