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Chemical Research in Toxicology
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February 19, 2025
Consensus Modeling for Predicting Chemical Binding to Transthyretin as the Winning Solution of the Tox24 Challenge
Dmitriy M Makarov, Alexander A Ksenofontov, Yury A Budkov
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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October 25, 2025
SpecML: web tool for predicting the spectral properties of BODIPYs
Alexander A Ksenofontov, Yulia V Eremeeva, Pavel S Bocharov, et al.
Journal of Chemical Information and Modeling
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June 18, 2026
Efficient Prediction of Transition-Metal NMR Chemical Shifts Using Machine Learning: Do Two-Dimensional Descriptors Suffice?
Yaroslav I Isaev, Alexey E Kovalev, Alexander A Ksenofontov, et al.
Journal of Chemical Information and Modeling
|
April 15, 2025
Improved Solubility Predictions in scCO<sub>2</sub> Using Thermodynamics-Informed Machine Learning Models
Dmitriy M Makarov, Nikolai N Kalikin, Yury A Budkov, et al.
Scientific Reports
|
June 2, 2026
Missing-data-aware machine learning prediction of in-hospital major adverse cardiovascular events after primary percutaneous coronary intervention for ST-segment elevation myocardial infarction
Seyedeh-Tarlan Mirzohreh, Neda Roshanravan, Tahir Suleymanov, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Chemical Research in Toxicology
|
February 19, 2025
Consensus Modeling for Predicting Chemical Binding to Transthyretin as the Winning Solution of the Tox24 Challenge
Dmitriy M Makarov, Alexander A Ksenofontov, Yury A Budkov
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
October 25, 2025
SpecML: web tool for predicting the spectral properties of BODIPYs
Alexander A Ksenofontov, Yulia V Eremeeva, Pavel S Bocharov, et al.
Journal of Chemical Information and Modeling
|
June 18, 2026
Efficient Prediction of Transition-Metal NMR Chemical Shifts Using Machine Learning: Do Two-Dimensional Descriptors Suffice?
Yaroslav I Isaev, Alexey E Kovalev, Alexander A Ksenofontov, et al.
Journal of Chemical Information and Modeling
|
April 15, 2025
Improved Solubility Predictions in scCO<sub>2</sub> Using Thermodynamics-Informed Machine Learning Models
Dmitriy M Makarov, Nikolai N Kalikin, Yury A Budkov, et al.
Scientific Reports
|
June 2, 2026
Missing-data-aware machine learning prediction of in-hospital major adverse cardiovascular events after primary percutaneous coronary intervention for ST-segment elevation myocardial infarction
Seyedeh-Tarlan Mirzohreh, Neda Roshanravan, Tahir Suleymanov, et al.
Page
of 1