Continuous Manufacturing | Pharmaceutical Sciences | Real-time Release Testing Machine learning modeling for ultrasonic quality attribute assessment of pharmaceutical tablets for continuous manufacturing and real-time release testing. March 27, 2024
Chemoinformatics | Drug Discovery | Pharmaceutical Sciences Deep Learning-Based construction of a Drug-Like compound database and its application in virtual screening of HsDHODH inhibitors. March 22, 2024
Biochemistry | Food Science | Pharmaceutical Sciences De novo antioxidant peptide design via machine learning and DFT studies. March 19, 2024
Chemical Engineering | Pharmaceutical Sciences Implementation of near-infrared spectroscopy and convolutional neural networks for predicting particle size distribution in fluidized bed granulation. March 16, 2024
Bioinformatics | Computational Biology | Pharmaceutical Sciences Drug-target Affinity Prediction by Molecule Secondary Structure Representation Network. February 27, 2024
Bioinformatics | Drug Discovery | Pharmaceutical Sciences A domain-label-guided translation model for molecular optimization. February 23, 2024
Bioinformatics | Machine Learning | Pharmaceutical Sciences AEGNN-M:A 3D Graph-Spatial Co-Representation Model for Molecular Property Prediction. February 22, 2024
Artificial Intelligence | Pharmaceutical Sciences Image2InChI: Automated Molecular Optical Image Recognition. February 15, 2024
Bioinformatics | Chemoinformatics | Computational Biology | Pharmaceutical Sciences Compositional Deep Probabilistic Models of DNA-Encoded Libraries. February 9, 2024
Chemoinformatics | Pharmaceutical Sciences CONSMI: Contrastive Learning in the Simplified Molecular Input Line Entry System Helps Generate Better Molecules. January 26, 2024
Bioinformatics | Chemistry | Computer Science | Pharmaceutical Sciences AutoMolDesigner for Antibiotic Discovery: An AI-Based Open-Source Software for Automated Design of Small-Molecule Antibiotics. January 24, 2024
Chemical Engineering | Pharmaceutical Sciences Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning. January 12, 2024