Drug Discovery | Molecular Biology INTransformer: Data augmentation-based contrastive learning by injecting noise into transformer for molecular property prediction. January 16, 2024
Artificial Intelligence | Drug Discovery | Pharmacology AI for targeted polypharmacology: The next frontier in drug discovery. January 12, 2024
Computational Chemistry | Drug Discovery | Pharmacology MedGAN: optimized generative adversarial network with graph convolutional networks for novel molecule design. January 12, 2024
Bioinformatics | Drug Discovery | Pharmacology HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. January 8, 2024
Bioinformatics | Drug Discovery Efficient and accurate large library ligand docking with KarmaDock. January 4, 2024
Drug Discovery | Phenotypic drug discovery Morphological Profiling for Drug Discovery in the Era of Deep Learning. January 3, 2024
Bioinformatics | Computational Chemistry | Drug Discovery | Pharmacology A deep learning framework for predicting molecular property based on multi-type features fusion. December 31, 2023
Computational Chemistry | Drug Discovery Regression-Based Active Learning for Accessible Acceleration of Ultra-Large Library Docking. December 29, 2023
Bioinformatics | Drug Discovery Multi-CGAN: Deep Generative Model-Based Multiproperty Antimicrobial Peptide Design. December 22, 2023
Drug Discovery | Infectious Diseases | Microbiology Discovery of a structural class of antibiotics with explainable deep learning. December 20, 2023
Bioinformatics | Drug Discovery | Genomics | Structural Biology Merizo: a rapid and accurate protein domain segmentation method using invariant point attention. December 19, 2023
Bioinformatics | Drug Discovery | Pharmacology MOASL: Predicting drug mechanism of actions through similarity learning with transcriptomic signature. December 17, 2023