An automated framework for NMR chemical shift calculations of small organic molecules.
Yesiltepe Y, Nuñez JR, Colby SM, Thomas DG, Borkum MI, Reardon PN, Washton NM, Metz TO, Teeguarden JG, Govind N, Renslow RS.
Yesiltepe Y, et al. Among authors: reardon pn.
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J Cheminform. 2018.
PMID: 30367288
Free PMC article.