| scholarly article | Q13442814 |
| P356 | DOI | 10.1021/ACS.JCIM.0C00899 |
| P698 | PubMed publication ID | 33283505 |
| P50 | author | Tom Metz | Q42666092 |
| Ryan S Renslow | Q87824179 | ||
| P2093 | author name string | Jamie R Nuñez | |
| Monee Mcgrady | |||
| Yasemin Yesiltepe | |||
| P2860 | cites work | Matplotlib: A 2D Graphics Environment | Q17278583 |
| Open Babel: An open chemical toolbox | Q21198766 | ||
| ClassyFire: automated chemical classification with a comprehensive, computable taxonomy | Q27902281 | ||
| Identifying the Unknowns by Aligning Fragmentation Trees | Q28530233 | ||
| Mordred: a molecular descriptor calculator | Q48093073 | ||
| An automated framework for NMR chemical shift calculations of small organic molecules | Q58114782 | ||
| Molecular generative model based on conditional variational autoencoder for de novo molecular design | Q62495519 | ||
| Quantification for non-targeted LC/MS screening without standard substances | Q91522654 | ||
| Mol-CycleGAN: a generative model for molecular optimization | Q94256362 | ||
| P577 | publication date | 2020-12-07 | |
| P1433 | published in | Journal of Chemical Information and Modeling | Q3007982 |
| P1476 | title | <i>Chespa</i>: Streamlining Expansive Chemical Space Evaluation of Molecular Sets |
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