MIT Open Access Articles: Recent submissions
Now showing items 10-12 of 53205
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MolScribe: Robust Molecular Structure Recognition with Image-to-Graph Generation
(American Chemical Society, 2023-04-10)Molecular structure recognition is the task of translating a molecular image into its graph structure. Significant variation in drawing styles and conventions exhibited in chemical literature poses a significant challenge ... -
Machine Learning‐Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click Potential
(Wiley, 2023-05-16)Bioorthogonal click chemistry has become an indispensable part of the biochemist's toolbox. Despite the wide variety of applications that have been developed in recent years, only a limited number of bioorthogonal click ... -
"My Very Subjective Human Interpretation": Domain Expert Perspectives on Navigating the Text Analysis Loop for Topic Models
(Association for Computing Machinery, 2025-01-10)Practitioners dealing with large text collections frequently use topic models such as Latent Dirichlet Allocation (LDA) and Non-negative Matrix Factorization (NMF) in their projects to explore trends. Despite twenty years ...