| Evidential deep learning for guided molecular property prediction and discovery AP Soleimany, A Amini, S Goldman, D Rus, SN Bhatia, CW Coley ACS central science 7 (8), 1356-1367, 2021 | 137 | 2021 |
| FLIP: Benchmark tasks in fitness landscape inference for proteins C Dallago, J Mou, KE Johnston, BJ Wittmann, N Bhattacharya, S Goldman, ... Thirty-fifth Conference on Neural Information Processing Systems Datasets …, 2021 | 102* | 2021 |
| Machine learning modeling of family wide enzyme-substrate specificity screens S Goldman, R Das, KK Yang, CW Coley PLoS computational biology 18 (2), e1009853, 2022 | 61 | 2022 |
| A time series transcriptome analysis of cassava (Manihot esculenta Crantz) varieties challenged with Ugandan cassava brown streak virus T Amuge, DK Berger, MS Katari, AA Myburg, SL Goldman, ME Ferguson Scientific reports 7 (1), 9747, 2017 | 48 | 2017 |
| Annotating metabolite mass spectra with domain-inspired chemical formula transformers S Goldman, J Wohlwend, M Stražar, G Haroush, RJ Xavier, CW Coley Nature Machine Intelligence 5 (9), 965-979, 2023 | 18 | 2023 |
| Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles AR Tan, S Urata, S Goldman, JCB Dietschreit, R Gómez-Bombarelli npj Computational Materials 9 (1), 225, 2023 | 16 | 2023 |
| Mol2Image: improved conditional flow models for molecule to image synthesis K Yang, S Goldman, W Jin, AX Lu, R Barzilay, T Jaakkola, C Uhler Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern …, 2021 | 16* | 2021 |
| Prefix-tree decoding for predicting mass spectra from molecules S Goldman, J Bradshaw, J Xin, C Coley Advances in Neural Information Processing Systems 36, 48548-48572, 2023 | 9 | 2023 |
| EHreact: extended Hasse diagrams for the extraction and scoring of enzymatic reaction templates E Heid, S Goldman, K Sankaranarayanan, CW Coley, C Flamm, ... Journal of Chemical Information and Modeling 61 (10), 4949-4961, 2021 | 8 | 2021 |
| Generating molecular fragmentation graphs with autoregressive neural networks S Goldman, J Li, CW Coley Analytical Chemistry 96 (8), 3419-3428, 2024 | 7 | 2024 |
| Evidential deep learning for guided molecular property prediction and discovery ACS Cent AP Soleimany, A Amini, S Goldman, D Rus, SN Bhatia, CW Coley Sci 7 (8), 1356-1367, 2021 | 6 | 2021 |
| MIST-CF: Chemical formula inference from tandem mass spectra S Goldman, J Xin, J Provenzano, CW Coley Journal of Chemical Information and Modeling 64 (7), 2421-2431, 2023 | 3 | 2023 |
| Generative Models for Codon Prediction and Optimization DK Yang, SL Goldman, E Weinstein, D Marks Machine Learning in Computational Biology, 2019 | 3 | 2019 |
| Machine Learning Methods for Discovering Metabolite Structures from Mass Spectra SL Goldman Massachusetts Institute of Technology, 2024 | | 2024 |
| Resonant learning in scale-free networks S Goldman, M Aldana, P Cluzel PLOS Computational Biology 19 (2), e1010894, 2023 | | 2023 |
