Guided structure-based ligand identification and design via artificial intelligence modeling.

Published in: Expert opinion on drug discovery (2021)

More profound analyses regarding the validity and applicability of AI methods in DD have begun to appear. In the near future, we expect to see more structure-based generative models- which are scarce in comparison to ligand-based generative models-, the implementation of standard guidelines for validating the generated structures, and more analyses regarding the validation of AI methods in structure-based DD.

Keyphrases

artificial intelligence
machine learning
big data
deep learning
primary care
healthcare
intellectual disability
quality improvement
high resolution
current status
clinical practice
autism spectrum disorder