MIT Open Access Articles

The MIT Open Access Articles collection consists of scholarly articles written by MIT-affiliated authors that are made available through DSpace@MIT under the MIT Faculty Open Access Policy, or under related publisher agreements. Articles in this collection generally reflect changes made during peer-review.

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  • Original manuscript: author's manuscript prior to formal peer review
  • Author's final manuscript: final author's manuscript post peer review, without publisher's formatting or copy editing
  • Final published version: final published article, as it appeared in a journal, conference proceedings, or other formally published context (this version appears here only if allowable under publisher's policy)

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Recent Submissions

  • Artificial Intelligence for Retrosynthesis Prediction 

    Jiang, Yinjie; Yu, Yemin; Kong, Ming; Mei, Yu; Yuan, Luotian; e.a. (Elsevier BV, 2023-06)
    In recent years, there has been a dramatic rise in interest in retrosynthesis prediction with artificial intelligence (AI) techniques. Unlike conventional retrosynthesis prediction performed by chemists and by rule-based ...

  • RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing 

    Qian, Yujie; Guo, Jiang; Tu, Zhengkai; Coley, Connor W; Barzilay, Regina (American Chemical Society (ACS), 2023-07-10)
    Reaction diagram parsing is the task of extracting reaction schemes from a diagram in the chemistry literature. The reaction diagrams can be arbitrarily complex; thus, robustly parsing them into structured data is an open ...

  • Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data 

    Mercado, Rocío; Kearnes, Steven M; Coley, Connor W (American Chemical Society, 2023-07-24)
    The past decade has seen a number of impressive developments in predictive chemistry and reaction informatics driven by machine learning applications to computer-aided synthesis planning. While many of these developments ...

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