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"De Novo Generation of Chemical Structures of Inhibitor and ..."
Yuki Matsukiyo, Chikashige Yamanaka, Yoshihiro Yamanishi (2024)
- Yuki Matsukiyo, Chikashige Yamanaka, Yoshihiro Yamanishi:
De Novo Generation of Chemical Structures of Inhibitor and Activator Candidates for Therapeutic Target Proteins by a Transformer-Based Variational Autoencoder and Bayesian Optimization. J. Chem. Inf. Model. 64(7): 2345-2355 (2024)
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