Drug Development | Pharmacology | Toxicology A deep learning based multi-model approach for predicting drug-like chemical compound’s toxicity. May 3, 2024
Environmental Science | Toxicology Deep Learning Bridged Bioactivity, Structure, and GC-HRMS-Readable Evidence to Decipher Nontarget Toxicants in Sediments. May 2, 2024
Toxicology Expanding Predictive Capacities in Toxicology: Insights from Hackathon-Enhanced Data and Model Aggregation. April 27, 2024
Bioinformatics | Pharmacology | Toxicology Deep-PK: deep learning for small molecule pharmacokinetic and toxicity prediction. April 18, 2024
Chemistry | Toxicology Classification of substances by health hazard using deep neural networks and molecular electron densities. April 16, 2024
Bioinformatics | Computational Biology | Toxicology MultiToxPred 1.0: a novel comprehensive tool for predicting 27 classes of protein toxins using an ensemble machine learning approach. April 12, 2024
Chemoinformatics | Computational Chemistry | Toxicology A QSAR study for predicting malformation in Zebrafish embryo. April 8, 2024
Forensic Science | Toxicology PSMS: A Deep Learning-Based Prediction System for Identifying New Psychoactive Substances Using Mass Spectrometry. March 15, 2024
Computational Biology | Environmental Science | Toxicology Transformers enable accurate prediction of acute and chronic chemical toxicity in aquatic organisms. March 6, 2024
Drug Development | Pharmacology | Toxicology ToxMPNN: A deep learning model for small molecule toxicity prediction. February 27, 2024
Chemistry | Environmental Science | Toxicology An artificial intelligence platform for automated PFAS subgroup classification: A discovery tool for PFAS screening. February 25, 2024
Environmental Science | Toxicology Screening androgen receptor agonists of fish species using machine learning and molecular model in NORMAN water-relevant list. February 23, 2024