Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly (Adv. Sci. 8/2023)
Source abstract
Abstract
Deep Generative Model A deep generative model for the molecular design based on chemical building block assembly via retrosynthetic reaction rules is reported in article number 2206674 by Seonghwan Seo, Jaechang Lim, and Woo Youn Kim. This work demonstrates the design of novel molecules with target properties using building blocks sampled from a chemical catalog.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Innovative Microfluidic and Catalytic Techniques Innovation · Chemistry and Chemical Engineering · Machine Learning in Materials Science
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