A Consensus Compound/Bioactivity Dataset for Data-Driven Drug Design and Chemogenomics

A Consensus Compound/Bioactivity Dataset for Data-Driven Drug Design and Chemogenomics

Publicly available compound and bioactivity databases provide an essential basis for data-driven applications in life-science research and drug design. By analyzing several bioactivity repositories, we discovered differences in compound and target coverage advocating the combined use of data from mu...

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Bibliographic Details
Main Authors: Laura Isigkeit, Apirat Chaikuad, Daniel Merk
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:Molecules
Subjects:
big data
data curation
medicinal chemistry
machine learning
de novo design
Online Access:https://www.mdpi.com/1420-3049/27/8/2513

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