Drug Discovery | Pharmaceutical Sciences Development of scoring-assisted generative exploration (SAGE) and its application to dual inhibitor design for acetylcholinesterase and monoamine oxidase B. May 24, 2024
Bioinformatics | Biomedical Engineering | Pharmaceutical Sciences Generation of focused drug molecule library using recurrent neural network. November 6, 2023
Bioorganic Chemistry | Drug Discovery | Medicinal Chemistry Structure-based drug design with geometric deep learning. February 26, 2023
Biochemistry | Medicinal Chemistry | Pharmacology De novo molecular design with deep molecular generative models for PPI inhibitors. July 13, 2022
Biotechnology | Drug Discovery | Materials Sciences | Pharmaceutical Sciences Generative Deep Learning for Targeted Compound Design. October 26, 2021
Chemistry | Pharmacology Generative Adversarial Networks for De Novo Molecular Design. October 8, 2021
Bioinformatics | Computational Chemistry | Drug Discovery Molecular design in drug discovery: a comprehensive review of deep generative models. August 20, 2021
Chemistry | Computer Science | Drug Discovery The Synthesizability of Molecules Proposed by Generative Models. April 6, 2020
Chemistry | Computational Biology GuacaMol: Benchmarking Models for de Novo Molecular Design. March 25, 2019
Computational Chemistry | Pharmacology Application of Generative Autoencoder in De Novo Molecular Design. December 18, 2018
Chemistry | Pharmaceutical Sciences Molecular generative model based on conditional variational autoencoder for de novo molecular design. November 14, 2018