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Molecular Generation with Reduced Labeling through Constraint Architecture., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 63 (11): 3319-3327 (June 2023)DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges., , , , , , , , and . Briefings Bioinform., (2021)Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning., , , , , , , , and . Briefings Bioinform., (2022)DeepChargePredictor: a web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms., , , , , , , , and . Bioinform., 37 (22): 4255-4257 (November 2021)ReMODE: a deep learning-based web server for target-specific drug design., , , , , , , , , and . J. Cheminformatics, 14 (1): 84 (2022)Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism., , , , , , , and . J. Chem. Inf. Model., 62 (12): 2973-2986 (2022)CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules., , , , , , , , , and . J. Chem. Inf. Model., 63 (20): 6169-6176 (October 2023)Knowledge-based BERT: a method to extract molecular features like computational chemists., , , , , , , , and . Briefings Bioinform., (2022)Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning., , , , , , , , , and 3 other author(s). Nat. Mach. Intell., 3 (10): 914-922 (2021)Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning., , , , , and . Bioinform., 36 (18): 4721-4728 (2020)