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W. Harmon Ray grad student 1976-1980 UW Madison
 (The Modelling and Dynamics of Catalysts and Fixed Bed Reactors)


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Connor W. Coley grad student MIT (Chemistry Tree)
Konstantinos P. Giapis grad student Caltech (Physics Tree)
Hang Lu grad student MIT (Neurotree)
David B. Graves grad student 1986 UMN (Chemistry Tree)
Sadasivan Shankar grad student 1986-1991 UMN
Saif A. Khan grad student 2001-2006 MIT (STSTree)
Nopphon Weeranoppanant grad student 2011-2016 MIT
Yiming Mo grad student 2014-2019 MIT
Kakasaheb Nandiwale grad student 2019-2021 MIT (Chemistry Tree)
Christopher D. Smith post-doc MIT (Chemistry Tree)
Maryam Peer Lachegurabi post-doc 2014- MIT (Chemistry Tree)
Saurabh R. Shahane post-doc 2014- MIT (Chemistry Tree)
Dylan J Walsh post-doc 2020- MIT (Chemistry Tree)
Triantafillos J. Mountziaris post-doc 1987-1989 UMN
Ananth Annapragada post-doc 1989-1991 MIT
Charles B. Musgrave post-doc 1995-1996 MIT (Chemistry Tree)
Axel Guenther post-doc 2002-2006 MIT (BME Tree)
Michiel T. Kreutzer post-doc 2005-2006 MIT (Chemistry Tree)
Ryan L. Hartman post-doc 2008-2010 MIT
Jean-Christophe M. Monbaliu post-doc 2012-2013 MIT (Chemistry Tree)
Ulrich Neuenschwander post-doc 2012-2013 MIT (Physics Tree)
Baris UNAL post-doc 2009-2014 MIT (Chemistry Tree)
Stephen Newman post-doc 2012-2014 MIT (Chemistry Tree)
Milad Abolhasani post-doc 2014-2016 MIT
Andrew R. Teixeira post-doc 2014-2016 MIT (Chemistry Tree)
Ye-jin Hwang post-doc 2015-2017 MIT (Chemistry Tree)
BETA: Related publications


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Sankaranarayanan K, Heid E, Coley CW, et al. (2022) Similarity based enzymatic retrosynthesis. Chemical Science. 13: 6039-6053
Kearnes SM, Maser MR, Wleklinski M, et al. (2021) The Open Reaction Database. Journal of the American Chemical Society. 143: 18820-18826
Guo J, Ibanez-Lopez AS, Gao H, et al. (2021) Correction to Automated Chemical Reaction Extraction from Scientific Literature. Journal of Chemical Information and Modeling
Guo J, Ibanez-Lopez AS, Gao H, et al. (2021) Automated Chemical Reaction Extraction from Scientific Literature. Journal of Chemical Information and Modeling
Guan Y, Coley CW, Wu H, et al. (2020) Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors. Chemical Science. 12: 2198-2208
Mo Y, Guan Y, Verma P, et al. (2020) Evaluating and clustering retrosynthesis pathways with learned strategy. Chemical Science. 12: 1469-1478
Wang X, Qian Y, Gao H, et al. (2020) Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning. Chemical Science. 11: 10959-10972
Gao H, Pauphilet J, Struble TJ, et al. (2020) Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries. Journal of Chemical Information and Modeling
Mo Y, Rughoobur G, Nambiar AMK, et al. (2020) A multifunctional microfluidic platform for high-throughput experimentation of electroorganic chemistry. Angewandte Chemie (International Ed. in English)
Fortunato M, Coley CW, Barnes BC, et al. (2020) Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning. Journal of Chemical Information and Modeling
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