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Biochemistry | Medicinal Chemistry | Pharmacology De novo molecular design with deep molecular generative models for PPI inhibitors. July 13, 2022
Drug Discovery | Medicinal Chemistry | Pharmaceutical research Retro Drug Design: From Target Properties to Molecular Structures. June 2, 2022
Medicinal Chemistry | Pharmacokinetics IDL-PPBopt: A Strategy for Prediction and Optimization of Human Plasma Protein Binding of Compounds via an Interpretable Deep Learning Method. May 24, 2022
Medicinal Chemistry DeepAS – Chemical language model for the extension of active analogue series. May 14, 2022
Chemoinformatics | Medicinal Chemistry | Pharmaceutical research Machine Learning in Chemoinformatics and Medicinal Chemistry. April 20, 2022
Computational Chemistry | Medicinal Chemistry | Pharmacoinformatics Deep learning tools for advancing drug discovery and development. April 18, 2022
Medicinal Chemistry | Pharmacology DeLA-Drug: A Deep Learning Algorithm for Automated Design of Druglike Analogues. March 16, 2022
Drug Discovery | Medicinal Chemistry Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries. March 10, 2022
Computational Chemistry | Medicinal Chemistry Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule Generation. February 7, 2022
Medicinal Chemistry | Pharmaceutical Industry Machine learning & deep learning in data-driven decision making of drug discovery and challenges in high-quality data acquisition in the pharmaceutical industry. December 23, 2021
Healthcare | Medicinal Chemistry | Pharmacology Artificial Intelligence (AI) in Drugs and Pharmaceuticals. December 8, 2021