Computational Chemistry | Drug Discovery | Synthesis Planning SB-Net: Synergizing CNN and LSTM networks for uncovering retrosynthetic pathways in organic synthesis. July 2, 2024
Computer Science | Organic Chemistry Node-Aligned Graph-to-Graph: Elevating Template-free Deep Learning Approaches in Single-Step Retrosynthesis. April 1, 2024
Biochemistry | Chemistry EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions. December 15, 2023
Chemistry | Drug Discovery RPBP: Deep Retrosynthesis Reaction Prediction Based on Byproducts. September 19, 2023
Other Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly. January 3, 2023
Artificial Intelligence | Chemistry | Machine Learning Improving the performance of models for one-step retrosynthesis through re-ranking. March 16, 2022
Chemistry | Molecular Sciences Artificial intelligence: machine learning for chemical sciences. December 27, 2021
Artificial Intelligence | Chemistry Deep learning in retrosynthesis planning: datasets, models and tools. September 27, 2021
Chemistry Valid, Plausible, and Diverse Retrosynthesis Using Tied Two-Way Transformers with Latent Variables. January 7, 2021
Chemistry Predicting Retrosynthetic Reactions using Self-Corrected Transformer Neural Networks. December 11, 2019