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Updated: Jun 5, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
10:58

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules

Published on: July 25, 2013

合成可访问性评分作为在聚合物材料设计中的虚拟化学结构的过器

Sergey V Trepalin1, Pavel V Komarov2, Andrey A Knizhnik1,3

  • 1Kintech Lab Ltd, 3rd Khoroshevskaya Str. 12, 123298, Moscow, Russian Federation.

Journal of molecular modeling
|March 3, 2026
PubMed
概括

这项研究适应了聚合物的合成可访问性得分 (SAscore),使得聚合物结构的高效虚拟选成为可能. 分析不同的碎片来源对SAScore的影响最小,确保可靠的聚合物设计.

关键词:
大数据就是大数据.化学结构 化学结构化学信息学 化学信息学聚合物 聚合物 聚合物这就是QSPR.虚拟化学是一种虚拟的化学.

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