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Learning to Plan Chemical Syntheses., , and . CoRR, (2017)Predicting Electron Paths., , , , and . CoRR, (2018)A Generative Model For Electron Paths., , , , and . ICLR (Poster), OpenReview.net, (2019)Molecular representation learning with language models and domain-relevant auxiliary tasks., , , , , , and . CoRR, (2020)Learning to Extend Molecular Scaffolds with Structural Motifs., , , , , , , and . ICLR, OpenReview.net, (2022)Modelling Chemical Reasoning to Predict Reactions., and . CoRR, (2016)Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design., , , , , , and . ICLR (Workshop), OpenReview.net, (2018)PREFER: A New Predictive Modeling Framework for Molecular Discovery., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 63 (15): 4497-4504 (August 2023)Retrosynthetic Planning with Dual Value Networks., , , , , , , , , and . CoRR, (2023)GuacaMol: Benchmarking Models for De Novo Molecular Design., , , and . CoRR, (2018)