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Table 8 Experiments on type of initialization

From: Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization

Initialization

Type of search

Reconstruction (%)

Gaussian

A

0.04

CTV + Gaussian

A

0.04

CHV + Gaussian

A

2

Gaussian

B

0

CTV + Gaussian

B

0

CHV + Gaussian

B

0.08

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Journal of Cheminformatics

ISSN: 1758-2946

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