Bioinformatics | Drug Discovery | Pharmacology PepExplainer: An explainable deep learning model for selection-based macrocyclic peptide bioactivity prediction and optimization. June 30, 2024
Bioinformatics | Drug Discovery | Machine Learning Cell Painting-based bioactivity prediction boosts high-throughput screening hit-rates and compound diversity. April 24, 2024
Drug Discovery | Neurology | Pharmacology Enhancing Opioid Bioactivity Predictions through Integration of Ligand-Based and Structure-Based Drug Discovery Strategies with Transfer and Deep Learning Techniques. December 12, 2023
Bioinformatics | Chemistry Toward a comprehensive understanding of alicyclic compounds: Bio-effects perspective and deep learning approach. December 2, 2023
Bioinformatics | Chemoinformatics | Pharmaceutical Sciences Employing Molecular Conformations for Ligand-Based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning. August 26, 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
Bioinformatics | Chemoinformatics Convolutional Neural Network Model Based on 2D Fingerprint for Bioactivity Prediction. November 11, 2022
Bioinformatics | Drug Development MultiPep: a hierarchical deep learning approach for multi-label classification of peptide bioactivities. December 15, 2021
Artificial Intelligence | Bioinformatics | Pharmacology The rise of deep learning and transformations in bioactivity prediction power of molecular modeling tools. September 17, 2021
Bioinformatics | Drug Discovery | Pharmacology Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity Prediction. May 31, 2021
Cheminformatics Building attention and edge message passing neural networks for bioactivity and physical-chemical property prediction. January 12, 2021
Biological science | Chemistry Deep learning model for classification and bioactivity prediction of essential oil-producing plants from Egypt. December 8, 2020