Computational Chemistry | Drug Discovery Improved Deep Learning Based Method for Molecular Similarity Searching Using Stack of Deep Belief Networks. January 1, 2021
Bioinformatics | Drug Discovery | Pharmacology ChemGenerator: a web server for generating potential ligands for specific targets. December 31, 2020
Chemistry | Drug Discovery Applications of Deep Learning in Molecule Generation and Molecular Property Prediction. December 28, 2020
Bioinformatics | Computational Biology | Drug Discovery Image-based profiling for drug discovery: due for a machine-learning upgrade? December 23, 2020
Drug Discovery | Pharmacology Deep Graph Learning with Property Augmentation for Predicting Drug-Induced Liver Injury. December 21, 2020
Drug Discovery | Pharmaceutical Industry Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery. December 16, 2020
Bioinformatics | Drug Discovery DeepPurpose: A Deep Learning Library for Drug-Target Interaction Prediction. December 4, 2020
Bioinformatics | Drug Discovery | Oncology DeepACP: A Novel Computational Approach for Accurate Identification of Anticancer Peptides by Deep Learning Algorithm. November 24, 2020
Drug Discovery | Infectious Diseases | Pharmacology Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis. November 24, 2020
Biomedicine | Computational Biology | Drug Discovery TrimNet: learning molecular representation from triplet messages for biomedicine. November 4, 2020
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 | Computational Biology | Drug Discovery Spatiotemporal identification of druggable binding sites using deep learning. October 28, 2020