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COCONUT online: Collection of Open Natural Products database.
J Cheminform. 2021 Jan 10;13(1):2. doi: 10.1186/s13321-020-00478-9.
J Cheminform. 2021.
PMID: 33423696
Free PMC article.
Surge: a fast open-source chemical graph generator.
McKay BD, Yirik MA, Steinbeck C.
McKay BD, et al. Among authors: yirik ma.
J Cheminform. 2022 Apr 23;14(1):24. doi: 10.1186/s13321-022-00604-9.
J Cheminform. 2022.
PMID: 35461261
Free PMC article.
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MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle.
Yirik MA, Sorokina M, Steinbeck C.
Yirik MA, et al.
J Cheminform. 2021 Jul 3;13(1):48. doi: 10.1186/s13321-021-00529-9.
J Cheminform. 2021.
PMID: 34217353
Free PMC article.
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Chemical graph generators.
Yirik MA, Steinbeck C.
Yirik MA, et al.
PLoS Comput Biol. 2021 Jan 5;17(1):e1008504. doi: 10.1371/journal.pcbi.1008504. eCollection 2021 Jan.
PLoS Comput Biol. 2021.
PMID: 33400699
Free PMC article.
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Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids.
Mayer-Bacon C, Yirik MA.
Mayer-Bacon C, et al. Among authors: yirik ma.
J Vis Exp. 2022 Apr 13;(182). doi: 10.3791/63632.
J Vis Exp. 2022.
PMID: 35499348
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