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Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics.
J Cheminform. 2018 Mar 9;10(1):11. doi: 10.1186/s13321-018-0269-8.
J Cheminform. 2018.
PMID: 29524042
Free PMC article.
Learning Molecular Representations for Thermochemistry Prediction of Cyclic Hydrocarbons and Oxygenates.
Dobbelaere MR, Plehiers PP, Van de Vijver R, Stevens CV, Van Geem KM.
Dobbelaere MR, et al. Among authors: plehiers pp.
J Phys Chem A. 2021 Jun 17;125(23):5166-5179. doi: 10.1021/acs.jpca.1c01956. Epub 2021 Jun 3.
J Phys Chem A. 2021.
PMID: 34081474
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A robotic platform for flow synthesis of organic compounds informed by AI planning.
Coley CW, Thomas DA 3rd, Lummiss JAM, Jaworski JN, Breen CP, Schultz V, Hart T, Fishman JS, Rogers L, Gao H, Hicklin RW, Plehiers PP, Byington J, Piotti JS, Green WH, Hart AJ, Jamison TF, Jensen KF.
Coley CW, et al. Among authors: plehiers pp.
Science. 2019 Aug 9;365(6453):eaax1566. doi: 10.1126/science.aax1566.
Science. 2019.
PMID: 31395756
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