Abstract: Designing bioactive molecules with desired properties for specific targets is a longstanding challenge in drug design. We introduce a model called BiAtt-GVAE, which incorporates a ...

This project is a Variational Autoencoder (VAE)-based molecular SMILES string generator. It generates molecules composed of CHOH/CH2OH (referred to as A) and CH/CH2/CH3 (referred to as B) repeat units ...

In this paper, we propose a variational autoencoder (VAE) based synthetic data generation method for imbalanced learning. VAE can produce new samples which are similar to those in the original dataset ...

Covalent bonding close covalent bondA bond between atoms formed when atoms share electrons to achieve a full outer shell of electrons. leads to the formation of substances with different types of ...