Trends in Medicinal Chemistry: KNIME Workflows, QSAR Models, LLMs and Chemical Search Strategies
Author:
Salehi Seyedeh Maryam,Sanchez-Martinez Melchor,Goncharenko Kristina,Kurbatova Natalja
Abstract
Through a lens encompassing KNIME workflows, QSAR models, LLMs, and chemical substructure search strategies, the article navigates the essential considerations driving innovation and progress in industrial cheminformatics for medicinal chemistry and drug discovery.
Publisher
Swiss Chemical Society
Subject
General Medicine,General Chemistry