Coefficient of determination <i>R</i>² of ProSmith for different splitting scenarios of the Davis dataset. حسب Alexander Kroll (9304225)

الموضوعات:

We divided the ESP test set into subsets according to the number of positive data points with the same small molecule in the training set. حسب Alexander Kroll (9304225)

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Performance metrics for ProSmith and ESP for the prediction of enzyme-substrate pairs. حسب Alexander Kroll (9304225)

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We divided the ESP test set into subsets according to the maximal sequence identity of an enzyme compared to all training enzymes. حسب Alexander Kroll (9304225)

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Drug-target affinity predictions improve with increasing drug similarity score compared to the training drugs. حسب Alexander Kroll (9304225)

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Performance metrics of ProSmith and previously published methods for the prediction of Michaelis constants <i>K</i>_M. حسب Alexander Kroll (9304225)

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ProSmith outperforms previous models in the prediction of Michaelis constants <i>K</i>_M especially for enzymes not highly similar to proteins in the training set. حسب Alexander Kroll (9304225)

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ProSmith model overview. حسب Alexander Kroll (9304225)

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Hyperparameters of the ProSmith Transformer Network. حسب Alexander Kroll (9304225)

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Enzyme-substrate pair predictions improve with increasing substrate similarity compared to training substrates. حسب Alexander Kroll (9304225)

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Hyperparameters of the ProSmith gradient boosting models. حسب Alexander Kroll (9304225)

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Python software for calculating the area under a curve حسب Wenfa Ng (444092)

"…Modularity in the software code ensures that the Python software can be readily adapted to calculate the area under the curve for other mathematical functions. …"

Collision Efficiency Parameter Influence on Pressure-Dependent Rate Constant Calculations Using the SS-QRRK Theory حسب E. Grajales-González (6083633)

"…To overcome this underestimation problem, we evaluated and implemented in a bespoke Python code two alternative definitions for the collision efficiency using the SS-QRRK theory and tested their performance by comparing the pressure-dependent rate constants with the Rice–Ramsperger–Kassel–Marcus/Master Equation (RRKM/ME) results. …"

Collision Efficiency Parameter Influence on Pressure-Dependent Rate Constant Calculations Using the SS-QRRK Theory حسب E. Grajales-González (6083633)

"…To overcome this underestimation problem, we evaluated and implemented in a bespoke Python code two alternative definitions for the collision efficiency using the SS-QRRK theory and tested their performance by comparing the pressure-dependent rate constants with the Rice–Ramsperger–Kassel–Marcus/Master Equation (RRKM/ME) results. …"

Multifunctional Lead-Free Halide Perovskite-Based Nanogenerator for Enhanced Energy Harvesting and Information-Encrypted Transmission حسب Monika Salesh (15306281)

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Multifunctional Lead-Free Halide Perovskite-Based Nanogenerator for Enhanced Energy Harvesting and Information-Encrypted Transmission حسب Monika Salesh (15306281)

الموضوعات:

Multifunctional Lead-Free Halide Perovskite-Based Nanogenerator for Enhanced Energy Harvesting and Information-Encrypted Transmission حسب Monika Salesh (15306281)

الموضوعات:

Multifunctional Lead-Free Halide Perovskite-Based Nanogenerator for Enhanced Energy Harvesting and Information-Encrypted Transmission حسب Monika Salesh (15306281)

الموضوعات:

python3 software to reproduce Figs 6, 7 and 8. حسب Stéphane Plaszczynski (14992817)

Comparison of execution times between the two methods. حسب Evandro Bernardes (14100259)