Rousu J - Search Results

1

Data-Driven Compound Identification in Atmospheric Mass Spectrometry.

Sandström H, Rissanen M, Rousu J, Rinke P. Sandström H, et al. Among authors: rousu j. Adv Sci (Weinh). 2024 Feb;11(8):e2306235. doi: 10.1002/advs.202306235. Epub 2023 Dec 14. Adv Sci (Weinh). 2024. PMID: 38095508 Free PMC article.

2

Identification of drug candidates and repurposing opportunities through compound-target interaction networks.

Cichonska A, Rousu J, Aittokallio T. Cichonska A, et al. Among authors: rousu j. Expert Opin Drug Discov. 2015 Dec;10(12):1333-45. doi: 10.1517/17460441.2015.1096926. Epub 2015 Oct 1. Expert Opin Drug Discov. 2015. PMID: 26429153 Review.

3

Probabilistic framework for integration of mass spectrum and retention time information in small molecule identification.

Bach E, Rogers S, Williamson J, Rousu J. Bach E, et al. Among authors: rousu j. Bioinformatics. 2021 Jul 19;37(12):1724-1731. doi: 10.1093/bioinformatics/btaa998. Bioinformatics. 2021. PMID: 33244585 Free PMC article.

4

FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data.

Heinonen M, Rantanen A, Mielikäinen T, Kokkonen J, Kiuru J, Ketola RA, Rousu J. Heinonen M, et al. Among authors: rousu j. Rapid Commun Mass Spectrom. 2008 Oct;22(19):3043-52. doi: 10.1002/rcm.3701. Rapid Commun Mass Spectrom. 2008. PMID: 18763276

5

Metabolite identification through multiple kernel learning on fragmentation trees.

Shen H, Dührkop K, Böcker S, Rousu J. Shen H, et al. Among authors: rousu j. Bioinformatics. 2014 Jun 15;30(12):i157-64. doi: 10.1093/bioinformatics/btu275. Bioinformatics. 2014. PMID: 24931979 Free PMC article.

6

Metabolite Identification through Machine Learning- Tackling CASMI Challenge Using FingerID.

Shen H, Zamboni N, Heinonen M, Rousu J. Shen H, et al. Among authors: rousu j. Metabolites. 2013 Jun 6;3(2):484-505. doi: 10.3390/metabo3020484. Metabolites. 2013. PMID: 24958002 Free PMC article.

7

Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

Dührkop K, Shen H, Meusel M, Rousu J, Böcker S. Dührkop K, et al. Among authors: rousu j. Proc Natl Acad Sci U S A. 2015 Oct 13;112(41):12580-5. doi: 10.1073/pnas.1509788112. Epub 2015 Sep 21. Proc Natl Acad Sci U S A. 2015. PMID: 26392543 Free PMC article.

8

Liquid-chromatography retention order prediction for metabolite identification.

Bach E, Szedmak S, Brouard C, Böcker S, Rousu J. Bach E, et al. Among authors: rousu j. Bioinformatics. 2018 Sep 1;34(17):i875-i883. doi: 10.1093/bioinformatics/bty590. Bioinformatics. 2018. PMID: 30423079

9

Learning with multiple pairwise kernels for drug bioactivity prediction.

Cichonska A, Pahikkala T, Szedmak S, Julkunen H, Airola A, Heinonen M, Aittokallio T, Rousu J. Cichonska A, et al. Among authors: rousu j. Bioinformatics. 2018 Jul 1;34(13):i509-i518. doi: 10.1093/bioinformatics/bty277. Bioinformatics. 2018. PMID: 29949975 Free PMC article.

10

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra.

Dührkop K, Nothias LF, Fleischauer M, Reher R, Ludwig M, Hoffmann MA, Petras D, Gerwick WH, Rousu J, Dorrestein PC, Böcker S. Dührkop K, et al. Among authors: rousu j. Nat Biotechnol. 2021 Apr;39(4):462-471. doi: 10.1038/s41587-020-0740-8. Epub 2020 Nov 23. Nat Biotechnol. 2021. PMID: 33230292

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