Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings
Volume: 62, Issue: 9, Pages: 2164 - 2170
Published: Aug 27, 2021
Abstract
The large majority of bioactive molecules contain a more or less complex ring system as a central structural element. This central core determines the basic molecule shape, keeps substituents in their proper positions, and often also contributes to the biological activity itself. In this study the ring systems extracted from one billion molecules are processed and differences between rings from bioactive molecules and common synthetic molecules...
Paper Details
Title
Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings
Published Date
Aug 27, 2021
Volume
62
Issue
9
Pages
2164 - 2170
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