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Thomas J. Struble

Massachusetts Institute of Technology

11

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203

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Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries.

2021 Journal of Chemical Information and Modeling
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Combining Retrosynthesis and Mixed-Integer Optimization for Predicting the Minimum Chemical Inventory Needed to Realize a WHO Essential Medicines List

2020 Reaction Chemistry and Engineering
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Multitask Prediction of Site Selectivity in Aromatic C-H Functionalization Reactions

2020 Reaction Chemistry and Engineering
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Multitask Prediction of Site Selectivity in Aromatic C-H Functionalization Reactions

2019 ChemRxiv
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Using Machine Learning To Predict Suitable Conditions for Organic Reactions

2018 ACS central science
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Citations (119)