Dmitry M Makarov

4PUBLICATIONS
7CO-AUTHORS
Theoretical quantum chemistryProcess control and simulationComputational chemistryComputational physiology
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Publications (4)

|Jun 18, 2026
Efficient Prediction of Transition-Metal NMR Chemical Shifts Using Machine Learning: Do Two-Dimensional Descriptors Suffice?

|Apr 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

|Feb 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

|Mar 20, 2023
Accurate prediction of <sup>11</sup>B NMR chemical shift of BODIPYs <i>via</i> machine learning.

Alexander A Ksenofontov, Yaroslav I Isaev, Michail M Lukanov

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Frequent Collaborators

3 joint publications

Alexander A Ksenofontov

2 joint publications

Yury A Budkov

2 joint publications

Ilya A Khodov

1 joint publications

Nikolai N Kalikin