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De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models., , , , and . J. Chem. Inf. Model., 62 (20): 4863-4872 (2022)Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors., , , , , , , and . J. Chem. Inf. Model., 59 (3): 1230-1237 (2019)ProSAR: A New Methodology for Combinatorial Library Design., , , , , , , , and . J. Chem. Inf. Model., 49 (3): 603-614 (2009)Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models., , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 63 (4): 1099-1113 (February 2023)Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation., , and . J. Chem. Inf. Model., 62 (9): 2093-2100 (2022)Orthologue chemical space and its influence on target prediction., , , , , , , , and . Bioinform., 34 (1): 72-79 (2018)Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks., , , , , and . Nat. Mach. Intell., 2 (5): 254-265 (2020)Author Correction: Improving de novo molecular design with curriculum learning., , , , , , , and . Nat. Mach. Intell., 4 (8): 731 (2022)Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery., , , , , and . CoRR, (2021)Application of generative autoencoder in de novo molecular design., , , , and . CoRR, (2017)