Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES - researchr publication authors

researchr

You are not signed in
Sign in
Sign up

Esben Jannik Bjerrum, Christian Margreitter, Thomas Blaschke, Simona Kolarova, Raquel Lopez-Rios de Castro. Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES. Journal of Computer-Aided Molecular Design, 37(8):373-394, August 2023. [doi]

This author has not been identified. Look up 'Esben Jannik Bjerrum' in GoogleThis author has not been identified. Look up 'Christian Margreitter' in GoogleThis author has not been identified. Look up 'Thomas Blaschke' in GoogleThis author has not been identified. Look up 'Simona Kolarova' in GoogleThis author has not been identified. Look up 'Raquel Lopez-Rios de Castro' in Google

runs on WebDSL