Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Thumb Rules for Machine Learning-Based Modelling

The parity plot of the desired and predicted values of y is shown in Fig. 3. 64. The value of 0.96 for the coefficient of correlation between the desired and model-predicted values of y (training and test sets) indicates good prediction accuracy of the model. [Pg.189]

8 Thumb Rules for Machine Learning-Based Modelling [Pg.189]

Use as much example data as possible for training the ML model since a model trained on a large data set is likely to possess better prediction and generalization ability. Note that data adequacy depends on various factors including the dimensionality of the system being modelled. [Pg.189]

ANNs and SVR can handle qualitative inputs and/or outputs provided these are appropriately represented in numeric quantities. [Pg.189]

3 Machine Learning Methods in Chemoinformatics for Drug Discovery [Pg.190]




SEARCH



Machine learning

Machine learning models

Machine model

Thumb

© 2024 chempedia.info