Drug Synthesis | Organic Chemistry CTsynther: Contrastive Transformer model for end-to-end retrosynthesis prediction. September 6, 2024
Computer Science | Organic Chemistry Node-Aligned Graph-to-Graph: Elevating Template-free Deep Learning Approaches in Single-Step Retrosynthesis. April 1, 2024
Biology | Materials Science | Organic Chemistry Expert System for Fourier Transform Infrared Spectra Recognition Based on a Convolutional Neural Network With Multiclass Classification. January 28, 2024
Drug Discovery | Organic Chemistry High-throughput synthesis provides data for predicting molecular properties and reaction success. October 27, 2023
Drug Development | Organic Chemistry Retrosynthesis prediction with an interpretable deep-learning framework based on molecular assembly tasks. October 3, 2023
Organic Chemistry | Pharmaceutical Chemistry Generation of novel Diels-Alder reactions using a generative adversarial network. December 12, 2022
Chemistry | Drug Discovery | Organic Chemistry Transformer-based multitask learning for reaction prediction under low-resource circumstances. November 16, 2022