Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2 E Bolyen, JR Rideout, MR Dillon, NA Bokulich, CC Abnet, GA Al-Ghalith, ... Nature biotechnology 37 (8), 852-857, 2019 | 15020 | 2019 |
Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking M Wang, JJ Carver, VV Phelan, LM Sanchez, N Garg, Y Peng, ... Nature biotechnology 34 (8), 828-837, 2016 | 3337 | 2016 |
Feature-based molecular networking in the GNPS analysis environment LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer, A Sarvepalli, ... Nature methods 17 (9), 905-908, 2020 | 875 | 2020 |
Reproducible molecular networking of untargeted mass spectrometry data using GNPS AT Aron, EC Gentry, KL McPhail, LF Nothias, M Nothias-Esposito, ... Nature protocols 15 (6), 1954-1991, 2020 | 447 | 2020 |
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra K Dührkop, LF Nothias, M Fleischauer, R Reher, M Ludwig, MA Hoffmann, ... Nature biotechnology 39 (4), 462-471, 2021 | 430 | 2021 |
Molecular networking as a drug discovery, drug metabolism, and precision medicine strategy RA Quinn, LF Nothias, O Vining, M Meehan, E Esquenazi, PC Dorrestein Trends in pharmacological sciences 38 (2), 143-154, 2017 | 334 | 2017 |
Bioactivity-based molecular networking for the discovery of drug leads in natural product bioassay-guided fractionation LF Nothias, M Nothias-Esposito, R Da Silva, M Wang, I Protsyuk, Z Zhang, ... Journal of natural products 81 (4), 758-767, 2018 | 318 | 2018 |
MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools M Ernst, KB Kang, AM Caraballo-Rodríguez, LF Nothias, J Wandy, ... Metabolites 9 (7), 144, 2019 | 315 | 2019 |
Propagating annotations of molecular networks using in silico fragmentation RR da Silva, M Wang, LF Nothias, JJJ van der Hooft, ... PLoS computational biology 14 (4), e1006089, 2018 | 304 | 2018 |
Dereplication of microbial metabolites through database search of mass spectra H Mohimani, A Gurevich, A Shlemov, A Mikheenko, A Korobeynikov, ... Nature communications 9 (1), 4035, 2018 | 266 | 2018 |
Learning representations of microbe–metabolite interactions JT Morton, AA Aksenov, LF Nothias, JR Foulds, RA Quinn, MH Badri, ... Nature methods 16 (12), 1306-1314, 2019 | 243 | 2019 |
Integrative analysis of multimodal mass spectrometry data in MZmine 3 R Schmid, S Heuckeroth, A Korf, A Smirnov, O Myers, TS Dyrlund, ... Nature biotechnology 41 (4), 447-449, 2023 | 232 | 2023 |
Dereplication of peptidic natural products through database search of mass spectra H Mohimani, A Gurevich, A Mikheenko, N Garg, LF Nothias, A Ninomiya, ... Nature chemical biology 13 (1), 30-37, 2017 | 232 | 2017 |
Mass spectrometry searches using MASST M Wang, AK Jarmusch, F Vargas, AA Aksenov, JM Gauglitz, K Weldon, ... Nature biotechnology 38 (1), 23-26, 2020 | 205 | 2020 |
NPClassifier: A deep neural network-based structural classification tool for natural products K Hyun Woo, M Wang, C Leber, LF Nothias, R Reher, KB Kang, ... ChemRxiv, 2020 | 185* | 2020 |
Significance estimation for large scale metabolomics annotations by spectral matching K Scheubert, F Hufsky, D Petras, M Wang, LF Nothias, K Dührkop, ... Nature Communications 8 (1), 1494, 2017 | 183 | 2017 |
High-confidence structural annotation of metabolites absent from spectral libraries MA Hoffmann, LF Nothias, M Ludwig, M Fleischauer, EC Gentry, M Witting, ... Nature Biotechnology 40 (3), 411-421, 2022 | 179* | 2022 |
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment R Schmid, D Petras, LF Nothias, M Wang, AT Aron, A Jagels, H Tsugawa, ... Nature communications 12 (1), 3832, 2021 | 159 | 2021 |
A convolutional neural network-based approach for the rapid annotation of molecularly diverse natural products R Reher, HW Kim, C Zhang, HH Mao, M Wang, LF Nothias, ... Journal of the American Chemical Society 142 (9), 4114-4120, 2020 | 152 | 2020 |
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC M Ludwig, LF Nothias, K Dührkop, I Koester, M Fleischauer, MA Hoffmann, ... Nature Machine Intelligence 2 (10), 629-641, 2020 | 149* | 2020 |