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Chemistry (Weinheim an Der Bergstrasse, Germany)
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June 15, 2026
The Fragility of Bioactivity Prediction: Rigorous Dataset Splits Expose the Illusion of ML Accuracy
Kisung Lee, Galymzhan Moldagulov, Bartosz A Grzybowski
Angewandte Chemie (International Ed. in English)
|
February 21, 2026
Hybrid Computational Strategy for Predicting Complex Ligand-Metal Architectures
Galymzhan Moldagulov, Kisung Lee, Sanzhar Nurgaliyev, et al.
Nature
|
September 24, 2025
Robot-assisted mapping of chemical reaction hyperspaces and networks
Yankai Jia, Rafał Frydrych, Yaroslav I Sobolev, 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
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 15, 2026
The Fragility of Bioactivity Prediction: Rigorous Dataset Splits Expose the Illusion of ML Accuracy
Kisung Lee, Galymzhan Moldagulov, Bartosz A Grzybowski
Angewandte Chemie (International Ed. in English)
|
February 21, 2026
Hybrid Computational Strategy for Predicting Complex Ligand-Metal Architectures
Galymzhan Moldagulov, Kisung Lee, Sanzhar Nurgaliyev, et al.
Nature
|
September 24, 2025
Robot-assisted mapping of chemical reaction hyperspaces and networks
Yankai Jia, Rafał Frydrych, Yaroslav I Sobolev, et al.
Page
of 1