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Artificial Intelligence | Pharmacology A Novel Deep Learning Model for Drug-drug Interactions. May 28, 2024
Drug Development | Pharmacology | Toxicology ToxMPNN: A deep learning model for small molecule toxicity prediction. February 27, 2024
Networking | Optical Transport Networks A Routing Optimization Method for Software-Defined Optical Transport Networks Based on Ensembles and Reinforcement Learning. November 11, 2022
Chemistry | Data Science | Pharmacology Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces. February 14, 2022
Computer Science | Pharmaceutical Sciences Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks. October 23, 2021
Chemistry Prediction of Reaction Yield for Buchwald-Hartwig Cross-coupling Reactions Using Deep Learning. September 29, 2021
Civil Engineering | Structural Engineering Damage Localization and Severity Assessment of a Cable-Stayed Bridge Using a Message Passing Neural Network. May 5, 2021