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121 |
Neural Network Models for Prediction of Biological Activity using Molecular Dynamics Data: A Case of Photoswitchable Peptides
Enthalten in Molecular informatics Bd. 44, 2025, Nr. 7. 15 S.
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122 |
Comparing Explanations of Molecular Machine Learning Models Generated with Different Methods for the Calculation of Shapley Values
Enthalten in Molecular informatics Bd. 44, 2025, Nr. 3. 15 S.
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123 |
Machine Learning in Drug Development for Neurological Diseases: A Review of Blood Brain Barrier Permeability Prediction Models
Enthalten in Molecular informatics Bd. 44, 2025, Nr. 3. 22 S.
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124 |
Improving Molecular Design with Direct Inverse Analysis of QSAR/QSPR Model
Enthalten in Molecular informatics Bd. 44, 2025, Nr. 1. 9 S.
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125 |
Simple User‐Friendly Reaction Format
Enthalten in Molecular informatics Bd. 44, 2025, Nr. 1. 8 S.
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126 |
Machine learning applications for thermochemical and kinetic property prediction
Enthalten in Reviews in chemical engineering Bd. 41, 2025, Nr. 4: 419-449. 031 S.
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127 |
Accelerating process control and optimization via machine learning: a review
Enthalten in Reviews in chemical engineering Bd. 41, 2025, Nr. 4: 401-418. 018 S.
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128 |
A tutorial review of machine learning-based model predictive control methods
Enthalten in Reviews in chemical engineering Bd. 41, 2025, Nr. 4: 359-400. 042 S.
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129 |
Uncertainty quantification and propagation in atomistic machine learning
Enthalten in Reviews in chemical engineering Bd. 41, 2025, Nr. 4: 333-357. 025 S.
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130 |
Recent advances in continuous nanomanufacturing: focus on machine learning-driven process control
Enthalten in Reviews in chemical engineering Bd. 41, 2025, Nr. 4: 311-331. 021 S.
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