MIT Open Access Articles: Recent submissions

Now showing items 7-9 of 53191

    • Dataset Design for Building Models of Chemical Reactivity 

      Raghavan, Priyanka; Haas, Brittany C; Ruos, Madeline E; Schleinitz, Jules; Doyle, Abigail G; e.a. (American Chemical Society, 2023-12-27)
      Models can codify our understanding of chemical reactivity and serve a useful purpose in the development of new synthetic processes via, for example, evaluating hypothetical reaction conditions or in silico substrate ...

    • A physics-inspired approach to the understanding of molecular representations and models 

      Dicks, Luke; Graff, David E; Jordan, Kirk E; Coley, Connor W; Pyzer-Knapp, Edward O (Royal Society of Chemistry, 2024)
      The story of machine learning in general, and its application to molecular design in particular, has been a tale of evolving representations of data. Understanding the implications of the use of a particular representation ...

    • Uniform volumetric single-cell processing for organ-scale molecular phenotyping 

      Yun, Dae Hee; Park, Young-Gyun; Cho, Jae Hun; Kamentsky, Lee; Evans, Nicholas B; e.a. (Springer Science and Business Media LLC, 2025-01-24)
      Extending single-cell analysis to intact tissues while maintaining organ-scale spatial information poses a major challenge due to unequal chemical processing of densely packed cells. Here we introduce Continuous Redispersion ...