Bioinformatics | Computational Biology | Pharmacology Deep graph contrastive learning model for drug-drug interaction prediction. June 17, 2024
Computational Chemistry | Food Chemistry A Comprehensive Comparative Analysis of Deep Learning Based Feature Representations for Molecular Taste Prediction. September 28, 2023
Chemistry | Environmental Science | Toxicology Developing machine learning approaches to identify candidate persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances based on molecular structure. August 18, 2023
Chemistry | Drug Discovery | Precision Medicine An end-to-end deep learning framework for translating mass spectra to de-novo molecules. June 23, 2023
Biochemistry | Microbiology | Structural Biology The structural integrity of the membrane-embedded bacterial division complex FtsQBL studied with molecular dynamics simulations. April 28, 2023
Drug Discovery | Machine Learning | Pharmacology Traditional Machine and Deep Learning for Predicting Toxicity Endpoints. January 8, 2023
Bioinformatics | Pharmacology MSPEDTI: Prediction of Drug-Target Interactions via Molecular Structure with Protein Evolutionary Information. July 16, 2022
Bioinformatics | Drug Development | Pharmacology DeepMGT-DTI: Transformer network incorporating multilayer graph information for Drug-Target interaction prediction. January 14, 2022
Chemistry | Materials Science Evolutionary design of molecules based on deep learning and a genetic algorithm. August 28, 2021
Bioinformatics | Pharmacology Cross-modal representation alignment of molecular structure and perturbation-induced transcriptional profiles. March 10, 2021
Computer Science | Pharmaceutical Chemistry Embedding of Molecular Structure Using Molecular Hypergraph Variational Autoencoder with Metric Learning. November 9, 2020