Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

by Tripathi, Anupriya, Vázquez-Baeza, Yoshiki, Gauglitz, Julia M., Wang, Mingxun, Dührkop, Kai, Nothias-Esposito, Mélissa, Acharya, Deepa D., Ernst, Madeleine, van der Hooft, Justin J.J., Zhu, Qiyun, McDonald, Daniel, Brejnrod, Asker D., Gonzalez, Antonio, Handelsman, Jo, Fleischauer, Markus, Ludwig, Marcus, Böcker, Sebastian, Nothias, Louis-Félix, Knight, Rob, Dorrestein, Pieter C.
Published in Nat Chem Biol (2020)

ReDU: A Framework to Find and Re-analyze Public Mass Spectrometry Data

by Jarmusch, Alan K., Wang, Mingxun, Aceves, Christine M., Advani, Rohit S., Aguirre, Shaden, Aksenov, Alexander A., Aleti, Gajender, Aron, Allegra T., Bauermeister, Anelize, Bolleddu, Sanjana, Bouslimani, Amina, Caraballo Rodriguez, Andres Mauricio, Chaar, Rama, Coras, Roxana, Elijah, Emmanuel O., Ernst, Madeleine, Gauglitz, Julia M., Gentry, Emily C., Husband, Makhai, Jarmusch, Scott A., Jones, Kenneth L., Kamenik, Zdenek, Gouellec, Audrey Le, Lu, Aileen, McCall, Laura-Isobel, McPhail, Kerry L., Meehan, Michael J., Melnik, Alexey V., Menezes, Riya C., Montoya Giraldo, Yessica Alejandra, Nguyen, Ngoc Hung, Nothias, Louis Felix, Nothias-Esposito, Mélissa, Panitchpakdi, Morgan, Petras, Daniel, Quinn, Robert, Sikora, Nicole, van der Hooft, Justin J.J., Vargas, Fernando, Vrbanac, Alison, Weldon, Kelly, Knight, Rob, Bandeira, Nuno, Dorrestein, Pieter C.
Published in Nat Methods (2020)

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

by Schmid, Robin, Petras, Daniel, Nothias, Louis-Félix, Wang, Mingxun, Aron, Allegra T., Jagels, Annika, Tsugawa, Hiroshi, Rainer, Johannes, Garcia-Aloy, Mar, Dührkop, Kai, Korf, Ansgar, Pluskal, Tomáš, Kameník, Zdeněk, Jarmusch, Alan K., Caraballo-Rodríguez, Andrés Mauricio, Weldon, Kelly C., Nothias-Esposito, Melissa, Aksenov, Alexander A., Bauermeister, Anelize, Albarracin Orio, Andrea, Grundmann, Carlismari O., Vargas, Fernando, Koester, Irina, Gauglitz, Julia M., Gentry, Emily C., Hövelmann, Yannick, Kalinina, Svetlana A., Pendergraft, Matthew A., Panitchpakdi, Morgan, Tehan, Richard, Le Gouellec, Audrey, Aleti, Gajender, Mannochio Russo, Helena, Arndt, Birgit, Hübner, Florian, Hayen, Heiko, Zhi, Hui, Raffatellu, Manuela, Prather, Kimberly A., Aluwihare, Lihini I., Böcker, Sebastian, McPhail, Kerry L., Humpf, Hans-Ulrich, Karst, Uwe, Dorrestein, Pieter C.
Published in Nat Commun (2021)

Feature-Based Molecular Networking in the GNPS Analysis Environment

by Nothias, Louis Felix, Petras, Daniel, Schmid, Robin, Dührkop, Kai, Rainer, Johannes, Sarvepalli, Abinesh, Protsyuk, Ivan, Ernst, Madeleine, Tsugawa, Hiroshi, Fleischauer, Markus, Aicheler, Fabian, Aksenov, Alexander, Alka, Oliver, Allard, Pierre-Marie, Barsch, Aiko, Cachet, Xavier, Caraballo, Mauricio, Silva, Ricardo R. Da, Dang, Tam, Garg, Neha, Gauglitz, Julia M., Gurevich, Alexey, Isaac, Giorgis, Jarmusch, Alan K., Kameník, Zdeněk, Kang, Kyo Bin, Kessler, Nikolas, Koester, Irina, Korf, Ansgar, Gouellec, Audrey Le, Ludwig, Marcus, H., Christian Martin, McCall, Laura-Isobel, McSayles, Jonathan, Meyer, Sven W., Mohimani, Hosein, Morsy, Mustafa, Moyne, Oriane, Neumann, Steffen, Neuweger, Heiko, Nguyen, Ngoc Hung, Nothias-Esposito, Melissa, Paolini, Julien, Phelan, Vanessa V., Pluskal, Tomáš, Quinn, Robert A., Rogers, Simon, Shrestha, Bindesh, Tripathi, Anupriya, van der Hooft, Justin J.J., Vargas, Fernando, Weldon, Kelly C., Witting, Michael, Yang, Heejung, Zhang, Zheng, Zubeil, Florian, Kohlbacher, Oliver, Böcker, Sebastian, Alexandrov, Theodore, Bandeira, Nuno, Wang, Mingxun, Dorrestein, Pieter C.
Published in Nat Methods (2020)

Auto-deconvolution and molecular networking of gas chromatography-mass spectrometry data

by Aksenov, Alexander A., Laponogov, Ivan, Zhang, Zheng, Doran, Sophie LF, Belluomo, Ilaria, Veselkov, Dennis, Bittremieux, Wout, Nothias, Louis Felix, Nothias-Esposito, Mélissa, Maloney, Katherine N., Misra, Biswapriya B., Melnik, Alexey V., Smirnov, Aleksandr, Du, Xiuxia, Jones, Kenneth L., Dorrestein, Kathleen, Panitchpakdi, Morgan, Ernst, Madeleine, van der Hooft, Justin J.J., Gonzalez, Mabel, Carazzone, Chiara, Amézquita, Adolfo, Callewaert, Chris, Morton, James, Quinn, Robert, Bouslimani, Amina, Orio, Andrea Albarracín, Petras, Daniel, Smania, Andrea M., Couvillion, Sneha P., Burnet, Meagan C., Nicora, Carrie D., Zink, Erika, Metz, Thomas O., Artaev, Viatcheslav, Humston-Fulmer, Elizabeth, Gregor, Rachel, Meijler, Michael M., Mizrahi, Itzhak, Eyal, Stav, Anderson, Brooke, Dutton, Rachel, Lugan, Raphaël, Le Boulch, Pauline, Guitton, Yann, Prevost, Stephanie, Poirier, Audrey, Dervilly, Gaud, Le Bizec, Bruno, Fait, Aaron, Persi, Noga Sikron, Song, Chao, Gashu, Kelem, Coras, Roxana, Guma, Monica, Manasson, Julia, Scher, Jose U., Barupal, Dinesh Kumar, Alseekh, Saleh, Fernie, Alisdair, Mirnezami, Reza, Vasiliou, Vasilis, Schmid, Robin, Borisov, Roman S., Kulikova, Larisa N., Knight, Rob, Wang, Mingxun, Hanna, George B, Dorrestein, Pieter C., Veselkov, Kirill
Published in Nat Biotechnol (2020)