QSAR_NN_model: Moleculors Neural network.

Description Usage Arguments Examples

Description

This function takes as input the descriptor matrix, the predicted values and return the performance in prediction of a neural network with one hidden layer the train_split argument will determine how data are divided for train/test/validation.

Usage

1
QSAR_NN_model(descriptor, predictor, train_split = 0.75, hl = 4, lr = 0.1)

Arguments

train_split

train test split ratio for the input data

hl

number of nodes in the hidden layer

Examples

1

FedericoViv/Moleculors documentation built on Jan. 17, 2022, 12:23 a.m.