High drug-likeness: Ghose filter
More than 80% of the compounds of the Comprehensive Medicinal Chemistry database Ver. 97.1 were found with the filter developed by Ghose. The following drug-likeness constraints are applied to ilib diverse's Ghose filter:
- MW: 160-480
- Number of atoms: 20-70
- logP: -0,4 to +5,6
Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J.
A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries
for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases.
Journal of Combinatorial Chemistry (1999), 1(1), 55-68.