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Autonomous Drug Design with Multi-Armed Bandits., , , , and . IEEE Big Data, page 5584-5592. IEEE, (2022)A de novo molecular generation method using latent vector based generative adversarial network., , , , , , and . J. Cheminformatics, 11 (1): 74 (2019)pICalculax: Improved Prediction of Isoelectric Point for Modified Peptides., , and . J. Chem. Inf. Model., 57 (8): 1723-1727 (August 2017)Neural Network Guided Tree-Search Policies for Synthesis Planning., , , and . ICANN (Workshop), volume 11731 of Lecture Notes in Computer Science, page 721-724. Springer, (2019)Fast prediction of distances between synthetic routes with deep learning., , and . Mach. Learn. Sci. Technol., 3 (1): 15018 (2022)Artificial applicability labels for improving policies in retrosynthesis prediction., , and . Mach. Learn. Sci. Technol., 2 (1): 17001 (2021)Molecular optimization by capturing chemist's intuition using deep neural networks., , , , , , , and . J. Cheminformatics, 13 (1): 26 (2021)Randomized SMILES strings improve the quality of molecular generative models., , , , , , , and . J. Cheminformatics, 11 (1): 71:1-71:13 (2019)LibINVENT: Reaction-based Generative Scaffold Decoration for in Silico Library Design., , , , , , and . J. Chem. Inf. Model., 62 (9): 2046-2063 (2022)De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping., , , , , and . J. Chem. Inf. Model., 59 (3): 1182-1196 (2019)