Trends in Medicinal Chemistry: KNIME Workflows, QSAR Models, LLMs and Chemical Search Strategies

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.

Bibliographic Details
Main Authors: Seyedeh Maryam Salehi, Melchor Sanchez-Martinez, Kristina Goncharenko, Natalja Kurbatova
Format: Article
Language:deu
Published: Swiss Chemical Society 2023-11-01
Series:CHIMIA
Subjects:
Online Access:https://www.chimia.ch/chimia/article/view/7141