JinYSun/D-GCAN
Methods of druglikeness prediction
This tool helps medicinal chemists and drug discovery researchers quickly identify promising drug candidates. By inputting molecular structures, it predicts whether a compound is 'drug-like,' helping to filter out unsuitable molecules early in the drug discovery process. This streamlines research by avoiding unnecessary and costly biological and clinical testing.
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Use this if you need to efficiently screen a large number of potential compounds to prioritize those with higher 'drug-likeness' for further investigation.
Not ideal if you require a detailed mechanistic explanation for drug-likeness or are working with very novel molecular scaffolds for which traditional drug-likeness criteria may not apply.
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16
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Language
Jupyter Notebook
License
BSD-3-Clause
Category
Last pushed
Nov 07, 2022
Commits (30d)
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