| SELFIES and the future of molecular string representations M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ... Patterns 3 (10), 100588, 2022 | 157 | 2022 |
| Unleashing the strengths of unlabeled data in pan-cancer abdominal organ quantification: the flare22 challenge J Ma, Y Zhang, S Gu, C Ge, S Ma, A Young, C Zhu, K Meng, X Yang, ... arXiv preprint arXiv:2308.05862, 2023 | 122 | 2023 |
| Machine learning in mass spectrometric analysis of dia data LL Xu, A Young, A Zhou, HL Röst Proteomics 20 (21-22), 1900352, 2020 | 43 | 2020 |
| Tandem mass spectrum prediction for small molecules using graph transformers A Young, H Röst, B Wang Nature Machine Intelligence, 1-13, 2024 | 24 | 2024 |
| MassFormer: Tandem Mass Spectrum Prediction with Graph Transformers A Young, B Wang, H Röst arXiv preprint arXiv:2111.04824, 2021 | 22 | 2021 |
| A graph neural network approach for molecule carcinogenicity prediction P Fradkin, A Young, L Atanackovic, B Frey, LJ Lee, B Wang Bioinformatics 38 (Supplement_1), i84-i91, 2022 | 20 | 2022 |
| Supervised topic modeling for predicting molecular substructure from mass spectrometry GK Reder, A Young, J Altosaar, J Rajniak, N Elhadad, M Fischbach, ... F1000Research 10 (403), 403, 2021 | 9 | 2021 |
| War of the wasps: is Diadegma insulare or Microplitis plutellae a more effective parasitoid of the Diamondback Moth, Plutella xylostella? A Young The Canadian Field-Naturalist 127 (3), 211-215, 2013 | 6 | 2013 |
| FraGNNet: A Deep Probabilistic Model for Mass Spectrum Prediction A Young, F Wang, D Wishart, B Wang, H Röst, R Greiner arXiv preprint arXiv:2404.02360, 2024 | 4 | 2024 |
| Analyzing Assay Specificity in Metabolomics Using Unique Ion Signature Simulations P Shanthamoorthy, A Young, H Röst Analytical Chemistry, 2021 | 4 | 2021 |
| MassSpecGym: A benchmark for the discovery and identification of molecules R Bushuiev, A Bushuiev, NF de Jonge, A Young, F Kretschmer, ... arXiv preprint arXiv:2410.23326, 2024 | 3 | 2024 |
| Genome Gerrymandering: optimal division of the genome into regions with cancer type specific differences in mutation rates A Young, J Chmura, Y Park, Q Morris, G Atwal PACIFIC SYMPOSIUM ON BIOCOMPUTING 2020, 274-285, 2019 | 1 | 2019 |
| Language model-guided anticipation and discovery of unknown metabolites H Qiang, F Wang, W Lu, X Xing, H Kim, SAM Merette, LB Ayres, E Oler, ... bioRxiv, 2024.11. 13.623458, 2024 | | 2024 |
| SELFIES and the future of molecular string representations S Barthel, M Krenn, Q Ai, N Carson, A Frei, NC Frey, P Friederich, ... Computing Research Repository-arXiv, 2022 | | 2022 |
| Actin-Related Protein 6 (Arp6) Influences Double-Strand Break Repair in Yeast M Hooshyar, D Burnside, M Hajikarimlou, K Omidi, A Jesso, M Vanstone, ... Applied Microbiology 1 (2), 225-238, 2021 | | 2021 |
| A Graph Neural Network Approach to Molecule Carcinogenicity Prediction Download PDF P Fradkin, A Young, L Atanackovic, B Frey, LJ Lee, BO WANG | | |
| Supervised Topic Modeling for Predicting Chemical Substructure from Mass Spectrometry G Reder, A Young, J Altosaar, J Rajniak, N Elhadad, S Holmes, ... | | |