Bioinformatics | Medicinal Chemistry | Pharmacology Convolutional neural network-based quantitative structure-activity relationship and fingerprint analysis against inhibitors of anthrax lethal factor. May 30, 2023
Chemistry | Environmental Science Density Functional Theory and Machine Learning-Based Quantitative Structure-Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments. February 22, 2023
Bioinformatics | Pharmacology Prediction of antioxidant peptides using a quantitative structure-activity relationship predictor (AnOxPP) based on bidirectional long short-term memory neural network and interpretable amino acid descriptors. January 26, 2023
Chemistry | Pharmaceutical Sciences A Deep Learning-Based Quantitative Structure-Activity Relationship System Construct Prediction Model of Agonist and Antagonist with High Performance. February 26, 2022
Bioinformatics | Computer Science | Pharmacology Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models. September 23, 2021
Drug Discovery | Pharmacology Prediction Model of Clearance by a Novel Quantitative Structure-Activity Relationship Approach, Combination DeepSnap-Deep Learning and Conventional Machine Learning. September 22, 2021
Chemoinformatics | Toxicology Quantitative Toxicity Prediction via Meta Ensembling of Multitask Deep Learning Models. May 31, 2021
Chemoinformatics | Machine Learning | Pharmacology Improvement of Prediction Performance With Conjoint Molecular Fingerprint in Deep Learning. January 25, 2021
Bioinformatics | Chemistry | Pharmacology A Molecular Image-Based Novel Quantitative Structure-Activity Relationship Approach, Deepsnap-Deep Learning and Machine Learning. December 19, 2020
Bioinformatics | Computational Biology | Pharmacology | Toxicology Prediction Model with High-Performance Constitutive Androstane Receptor (CAR) Using DeepSnap-Deep Learning Approach from the Tox21 10K Compound Library. October 2, 2019
Neurology | Pharmacology Quantitative structure-activity relationship models for compounds with anticonvulsant activity. May 10, 2019