Bioinformatics | Pharmacology | Toxicology Deep Learning Algorithm Based on Molecular Fingerprint for Prediction of Drug-Induced Liver Injury. February 2, 2024
Pharmacology | Toxicology Predicting drug-induced liver injury using graph attention mechanism and molecular fingerprints. December 1, 2023
Biomedical | Cheminformatics Novel Molecular Representations Using Neumann-Cayley Orthogonal Gated Recurrent Unit. April 19, 2023
Bioinformatics | Drug Development | Pharmacology A consensual machine-learning-assisted QSAR model for effective bioactivity prediction of xanthine oxidase inhibitors using molecular fingerprints. April 12, 2023
Cardiology | Pharmacology Investigating cardiotoxicity related with hERG channel blockers using molecular fingerprints and graph attention mechanism. December 30, 2022
Clinical Chemistry | Gastroenterology | Oncology Fast and Deep Diagnosis Using Blood-Based ATR-FTIR Spectroscopy for Digestive Tract Cancers. December 23, 2022
Bioinformatics | Chemoinformatics | Computational Chemistry Multi-Task Neural Networks and Molecular Fingerprints to Enhance Compound Identification from LC-MS/MS Data. September 23, 2022
Chemistry | Machine Learning Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks. April 22, 2022
Chemistry | Machine Learning Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms. December 13, 2021
Oncology | Pharmacology Comparative analysis of molecular fingerprints in prediction of drug combination effects. August 17, 2021
Chemistry | Drug Discovery | Material Science Deep Learning Total Energies and Orbital Energies of Large Organic Molecules Using Hybridization of Molecular Fingerprints. October 29, 2020
Bioinformatics | Chemistry | Pharmacology Convolutional architectures for virtual screening. September 17, 2020