MIT Open Access Articles: Recent submissions

Now showing items 205-207 of 55784

    • Predictive Chemistry Augmented with Text Retrieval 

      Qian, Yujie; Li, Zhening; Tu, Zhengkai; Coley, Connor; Barzilay, Regina (Association for Computational Linguistics, 2023-12)
      This paper focuses on using natural language descriptions to enhance predictive models in the chemistry field. Conventionally, chemoinformatics models are trained with extensive structured data manually extracted from the ...

    • Scientific discovery in the age of artificial intelligence 

      Massachusetts Institute of Technology. Department of Chemical Engineering; Massachusetts Institute of Technology. Department of Physics; Harvard-MIT Program in Health Sciences and Technology; Broad Institute of MIT and Harvard (Springer Science and Business Media LLC, 2023-08-02)
      Artificial intelligence (AI) is being increasingly integrated into scientific discovery to augment and accelerate research, helping scientists to generate hypotheses, design experiments, collect and interpret large datasets, ...

    • MIST-CF: Chemical Formula Inference from Tandem Mass Spectra 

      Goldman, Samuel; Xin, Jiayi; Provenzano, Joules; Coley, Connor W (American Chemical Society, 2023-09-19)
      Chemical formula annotation for tandem mass spectrometry (MS/MS) data is the first step toward structurally elucidating unknown metabolites. While great strides have been made toward solving this problem, the current ...