Beyond the Arbitrariness of Drug-Likeness Rules: Rough Set Theory and Decision Rules in the Service of Drug Design

Beyond the Arbitrariness of Drug-Likeness Rules: Rough Set Theory and Decision Rules in the Service of Drug Design

Lipinski’s Rule of Five and Ghose filter are empirical guidelines for evaluating the drug-likeness of a compound, suggesting that orally active drugs typically fall within specific ranges for molecular descriptors such as hydrogen bond donors and acceptors, weight, and lipophilicity. We revisit thes...

Full description

Saved in:
Bibliographic Details
Main Authors: Grzegorz Miebs, Adam Mielniczuk, Miłosz Kadziński, Rafał A. Bachorz
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Applied Sciences
Subjects:
drug-likeness
multiple criteria decision analysis
drug design
biological activity
dominance-based rough set approach
decision rules
Online Access:https://www.mdpi.com/2076-3417/14/21/9966
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

https://www.mdpi.com/2076-3417/14/21/9966

Similar Items