OMG: De Novo molecular generation from spectra via transfer learning and curriculum learning.
MADGEN: Generating de novo molecules from partial structures, guided by spectra.
A novel paradigm for metabolite annotation: Avoiding explicit construction of spectra and molecules, instead comparing query spectrum against candidates in the embedding space.
MassSpecGym: A community effort to standardize the evaluation of mass spec annotation techniques.
Ensemble Spectral Prediction (ESP): A pipeline that includes molecular representation learning, spectral prediction with peak co-dependency analysis, and rank-based learning, improving performance by up to 41% over MLPs.
Separate normalization of normal and [CLS] tokens in self-supervised transformers, showing a 2.7% performance improvement in image, natural, and graph tasks.
Predicting enzyme-substrate interactions using contrastive multiview coding (CMC).
Review article on recent advances in computational methods for metabolomics.
Research Experience
Current professor at Tufts University, leading the Hassoun Lab, which focuses on developing machine learning and AI models, especially those tailored for biological data.
Education
Tufts University
Background
Professor of Computer Science (primary), Chemical & Biological Engineering, and Electrical & Computer Engineering. Research interests include machine learning and systems biology, focusing on developing analysis and design tools to advance biotechnology.
Miscellany
Contact Info: 177 College Ave, Medford, MA 02155, soha (at) cs.tufts.edu, Follow @sohahassoun