Before revision:  Our molecule generator combines two  pretrained variational autoencoders (VAEs) and a multimodal efficacy predictor - the first VAE generates transcriptomic profiles while the second conditional VAE generates novel molecular structures conditioned on the given transcriptomic profile.
After revision:  Our molecule generator combines two pretrained variational autoencoders (VAEs) - the first VAE generates transcriptomic profiles while the second conditional VAE generates novel molecular structures conditioned on the given transcriptomic profile.