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Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
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Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships

Huber, Florian ; Ridder, Lars ; Verhoeven, Stefan ; Spaaks, Jurriaan H ; Diblen, Faruk ; Rogers, Simon ; van der Hooft, Justin J J Jensen, Lars Juhl

PLoS computational biology, 2021-02, Vol.17 (2), p.e1008724-e1008724 [Periódico revisado por pares]

United States: Public Library of Science

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2
DeepRank: a deep learning framework for data mining 3D protein-protein interfaces
DeepRank: a deep learning framework for data mining 3D protein-protein interfaces
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DeepRank: a deep learning framework for data mining 3D protein-protein interfaces

Renaud, Nicolas ; Geng, Cunliang ; Georgievska, Sonja ; Ambrosetti, Francesco ; Ridder, Lars ; Marzella, Dario F ; Réau, Manon F ; Bonvin, Alexandre M J J ; Xue, Li C

Nature communications, 2021-12, Vol.12 (1), p.7068-7068, Article 7068 [Periódico revisado por pares]

England: Nature Publishing Group

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3
Sleep classification from wrist-worn accelerometer data using random forests
Sleep classification from wrist-worn accelerometer data using random forests
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Sleep classification from wrist-worn accelerometer data using random forests

Sundararajan, Kalaivani ; Georgievska, Sonja ; Te Lindert, Bart H W ; Gehrman, Philip R ; Ramautar, Jennifer ; Mazzotti, Diego R ; Sabia, Séverine ; Weedon, Michael N ; van Someren, Eus J W ; Ridder, Lars ; Wang, Jian ; van Hees, Vincent T

Scientific reports, 2021-01, Vol.11 (1), p.24-10, Article 24 [Periódico revisado por pares]

England: Nature Publishing Group

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4
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
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MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra

Huber, Florian ; van der Burg, Sven ; van der Hooft, Justin J. J. ; Ridder, Lars

Journal of cheminformatics, 2021-10, Vol.13 (1), p.84-84, Article 84 [Periódico revisado por pares]

Cham: Springer International Publishing

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5
Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra
Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra
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Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra

Rogers, Simon ; Ong, Cher Wei ; Wandy, Joe ; Ernst, Madeleine ; Ridder, Lars ; van der Hooft, Justin J. J

Faraday discussions, 2019-08, Vol.218, p.284-32 [Periódico revisado por pares]

England: Royal Society of Chemistry

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6
Automatic Chemical Structure Annotation of an LC-MSn Based Metabolic Profile from Green Tea
Automatic Chemical Structure Annotation of an LC-MSn Based Metabolic Profile from Green Tea
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Automatic Chemical Structure Annotation of an LC-MSn Based Metabolic Profile from Green Tea

Ridder, Lars ; van der Hooft, Justin J J ; Verhoeven, Stefan ; de Vos, Ric C H ; Bino, Raoul J ; Vervoort, Jacques

Analytical chemistry (Washington), 2013-06, Vol.85 (12), p.6033-6033 [Periódico revisado por pares]

Washington: American Chemical Society

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7
Substructure-based annotation of high-resolution multistage MSn spectral trees
Substructure-based annotation of high-resolution multistage MSn spectral trees
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Substructure-based annotation of high-resolution multistage MSn spectral trees

Ridder, Lars ; van der Hooft, Justin J. J. ; Verhoeven, Stefan ; de Vos, Ric C. H. ; van Schaik, René ; Vervoort, Jacques

Rapid communications in mass spectrometry, 2012-10, Vol.26 (20), p.2461-2471 [Periódico revisado por pares]

Bognor Regis: Blackwell Publishing Ltd

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8
Structural Elucidation and Quantification of Phenolic Conjugates Present in Human Urine after Tea Intake
Structural Elucidation and Quantification of Phenolic Conjugates Present in Human Urine after Tea Intake
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Structural Elucidation and Quantification of Phenolic Conjugates Present in Human Urine after Tea Intake

van der Hooft, Justin J. J ; de Vos, Ric C. H ; Mihaleva, Velitchka ; Bino, Raoul J ; Ridder, Lars ; de Roo, Niels ; Jacobs, Doris M ; van Duynhoven, John P. M ; Vervoort, Jacques

Analytical chemistry (Washington), 2012-08, Vol.84 (16), p.7263-7271 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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9
In Silico Prediction and Automatic LC–MSn Annotation of Green Tea Metabolites in Urine
In Silico Prediction and Automatic LC–MSn Annotation of Green Tea Metabolites in Urine
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In Silico Prediction and Automatic LC–MSn Annotation of Green Tea Metabolites in Urine

Ridder, L.O ; Hooft, J.J.J., van der ; Verhoeven, S ; Vos, R.C.H., de ; Vervoort, J.J.M ; Bino, R.J

Analytical chemistry (Washington), 2014-05, Vol.86 (10) [Periódico revisado por pares]

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10
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
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3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

McGuire, Ross ; Verhoeven, Stefan ; Vass, Márton ; Vriend, Gerrit ; de Esch, Iwan J. P ; Lusher, Scott J ; Leurs, Rob ; Ridder, Lars ; Kooistra, Albert J ; Ritschel, Tina ; de Graaf, Chris

Journal of chemical information and modeling, 2017-02, Vol.57 (2), p.115-121 [Periódico revisado por pares]

United States: American Chemical Society

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