Generative models for molecular discovery: Recent advances and challenges

C Bilodeau, W **, T Jaakkola… - Wiley …, 2022 - Wiley Online Library
Abstract Development of new products often relies on the discovery of novel molecules.
While conventional molecular design involves using human expertise to propose …

Deep learning methods for molecular representation and property prediction

Z Li, M Jiang, S Wang, S Zhang - Drug Discovery Today, 2022 - Elsevier
Highlights•The deep learning method could effectively represent the molecular structure and
predict molecular property through diversified models.•One, two, and three-dimensional …

Revolutionizing the structural design and determination of covalent–organic frameworks: principles, methods, and techniques

Y Liu, X Liu, A Su, C Gong, S Chen, L ** large-scale lead
molecule screening. One of the major tasks of lead discovery is identifying molecules with …