Chemical Engineering | Medicinal Chemistry | Pharmaceutical Chemistry A machine learning approach for thermodynamic modeling of the statically measured solubility of nilotinib hydrochloride monohydrate (anti-cancer drug) in supercritical CO. August 9, 2023
Artificial Intelligence | Drug design | Medicinal Chemistry The Hitchhiker’s Guide to Deep Learning Driven Generative Chemistry. July 19, 2023
Medicinal Chemistry | Pharmacology DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space. June 5, 2023
Bioinformatics | Medicinal Chemistry | Pharmacology Convolutional neural network-based quantitative structure-activity relationship and fingerprint analysis against inhibitors of anthrax lethal factor. May 30, 2023
Biomedical Engineering | Medicinal Chemistry Quantum Annealing Designs Nonhemolytic Antimicrobial Peptides in a Discrete Latent Space. May 17, 2023
Medicinal Chemistry | Pharmaceutical Sciences Fragment Linker Prediction Using the Deep Encoder-Decoder Network for PROTACs Drug Design. May 8, 2023
Aging Research | Medicinal Chemistry | Pharmacology Discovering small-molecule senolytics with deep neural networks. May 4, 2023
Computer-Aided Drug Discovery | Medicinal Chemistry | Pharmaceutical Chemistry Introduction to artificial intelligence and deep learning using interactive electronic programming notebooks. April 17, 2023
Bioorganic Chemistry | Drug Discovery | Medicinal Chemistry Structure-based drug design with geometric deep learning. February 26, 2023
Medicinal Chemistry | Pharmacology Co-Model for Chemical Toxicity Prediction Based on Multi-task Deep Learning. February 1, 2023
Medicinal Chemistry | Pharmacology Application of deep generative model for design of Pyrrolo[2,3-d] pyrimidine derivatives as new selective TANK binding kinase 1 (TBK1) inhibitors. January 5, 2023
Drug Discovery | Medicinal Chemistry | Pharmacology A scaffold-based deep generative model considering molecular stereochemical information. August 28, 2022