Bioinformatics | Computational Chemistry | Drug design PROTACable Is an Integrative Computational Pipeline of 3-D Modeling and Deep Learning To Automate the De Novo Design of PROTACs. March 20, 2024
Computer Science | Pharmacology Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR. December 8, 2023
Computational Biology | Pharmaceutical Sciences Ligand Binding Prediction Using Protein Structure Graphs and Residual Graph Attention Networks. August 26, 2022
Bioinformatics | Drug Discovery DD-GUI: a Graphical User Interface for Deep Learning-Accelerated Virtual Screening of Large Chemical Libraries (Deep Docking). November 17, 2021
Oncology | Pharmacology Deep Learning Modeling of Androgen Receptor Responses to Prostate Cancer Therapies. August 22, 2020
Bioinformatics | Chemistry | Pharmaceutical Sciences Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery. July 1, 2020
Pharmaceuticals | Virology Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds. March 12, 2020
Bioinformatics | Chemogenomics | Oncology | Precision Medicine DeepCOP – Deep Learning-Based Approach to Predict Gene Regulating Effects of Small Molecules. September 10, 2019
Artificial Intelligence | Cheminformatics | Toxicology Toxic Colors: The Use of Deep Learning for Predicting Toxicity of Compounds Merely from Their Graphic Images. August 27, 2018