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Journal of Computer-Aided Molecular Design
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July 25, 2024
From mundane to surprising nonadditivity: drivers and impact on ML models
Laura Guasch, Niels Maeder, John G Cumming, et al.
The Journal of Chemical Physics
|
August 15, 2024
DASH properties: Estimating atomic and molecular properties from a dynamic attention-based substructure hierarchy
Marc T Lehner, Paul Katzberger, Niels Maeder, et al.
Journal of Chemical Information and Modeling
|
September 22, 2023
DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment
Marc T Lehner, Paul Katzberger, Niels Maeder, et al.
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Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
Journal of Computer-Aided Molecular Design
|
July 25, 2024
From mundane to surprising nonadditivity: drivers and impact on ML models
Laura Guasch, Niels Maeder, John G Cumming, et al.
The Journal of Chemical Physics
|
August 15, 2024
DASH properties: Estimating atomic and molecular properties from a dynamic attention-based substructure hierarchy
Marc T Lehner, Paul Katzberger, Niels Maeder, et al.
Journal of Chemical Information and Modeling
|
September 22, 2023
DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment
Marc T Lehner, Paul Katzberger, Niels Maeder, et al.
Page
of 1