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Generative models for molecular discovery: Recent advances and challenges
Abstract Development of new products often relies on the discovery of novel molecules.
While conventional molecular design involves using human expertise to propose …
While conventional molecular design involves using human expertise to propose …
Deep learning methods for molecular representation and property prediction
Highlights•The deep learning method could effectively represent the molecular structure and
predict molecular property through diversified models.•One, two, and three-dimensional …
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 …
molecule screening. One of the major tasks of lead discovery is identifying molecules with …