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Found 2 papers, 1 papers with code
DirectMultiStep: Direct Route Generation for Multi-Step Retrosynthesis
Traditional computer-aided synthesis planning (CASP) methods rely on iterative single-step predictions, leading to exponential search space growth that limits efficiency and scalability.
Kernel-Elastic Autoencoder for Molecular Design
We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design.
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