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2501.06669
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Challenging reaction prediction models to generalize to novel chemistry
11 January 2025
John Bradshaw
Anji Zhang
Babak Mahjour
David E. Graff
Marwin H. S. Segler
Connor W. Coley
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Papers citing
"Challenging reaction prediction models to generalize to novel chemistry"
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Title
Retro-Rank-In: A Ranking-Based Approach for Inorganic Materials Synthesis Planning
Thorben Prein
Elton Pan
Sami Haddouti
Marco Lorenz
Janik Jehkul
...
Cansu Moran
Menelaos Panagiotis Fotiadis
Artur P. Toshev
E. Olivetti
Jennifer L.M. Rupp
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06 Feb 2025
1