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In Silico Collision Cross Section Calculations to Aid Metabolite Annotation.
J Am Soc Mass Spectrom. 2022 May 4;33(5):750-759. doi: 10.1021/jasms.1c00315. Epub 2022 Apr 4.
J Am Soc Mass Spectrom. 2022.
PMID: 35378036
Free PMC article.
AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule Conformations.
Tanemura KA, Das S, Merz KM Jr.
Tanemura KA, et al.
J Chem Inf Model. 2021 Apr 26;61(4):1647-1656. doi: 10.1021/acs.jcim.0c01492. Epub 2021 Mar 29.
J Chem Inf Model. 2021.
PMID: 33780248
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Rapid and Automated Ab Initio Metabolite Collisional Cross Section Prediction from SMILES Input.
Das S, Dinpazhoh L, Tanemura KA, Merz KM Jr.
Das S, et al. Among authors: tanemura ka.
J Chem Inf Model. 2023 Aug 28;63(16):4995-5000. doi: 10.1021/acs.jcim.3c00890. Epub 2023 Aug 7.
J Chem Inf Model. 2023.
PMID: 37548575
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Preprocessing of Single Cell RNA Sequencing Data Using Correlated Clustering and Projection.
Hozumi Y, Tanemura KA, Wei GW.
Hozumi Y, et al. Among authors: tanemura ka.
J Chem Inf Model. 2024 Apr 8;64(7):2829-2838. doi: 10.1021/acs.jcim.3c00674. Epub 2023 Jul 4.
J Chem Inf Model. 2024.
PMID: 37402705
Free PMC article.
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