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Abstract
The Brazilian Compound Library (BraCoLi) is a novel virtual library of manually curated compounds developed by Brazilian research groups to support further computer-aided drug design works. Herein, the first version of the database is described comprising 1,176 compounds. Also, the chemical diversity and drug-like profile of BraCoLi were defined to analyze its chemical space. A significant amount of the compounds fitted Lipinski and Veber’s rules, alongside other drug-likeness properties. Principal component analysis showed that BraCoLi is similar to other databases (FDA-approved drugs and NuBBEDB) regarding structural and physicochemical patterns. Finally, a scaffold analysis showed that BraCoLi presents several privileged chemical skeletons with great diversity.
Supplementary materials
Title
BraCoLi v1 databse
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BraCoLi v1 supplementary
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Title
BraCoLi v1
Description
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Title
BraCoLi v1
Description
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