NIMO: A Natural Product-Inspired Molecular Generative Model Based on Conditional Transformer
Natural products (NPs) have diverse biological activity and significant medicinal value. The structural diversity of NPs is the mainstay of drug discovery. Expanding the chemical space of NPs is an urgent need. Inspired by the concept of fragment-assembled pseudo-natural products, we developed a com...
Main Authors: | , , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2024-04-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/29/8/1867 |