Improvements
To evaluate druglikeness better, the rules have spawned many extensions, for example one from a 1999 paper by Ghose et al.:
- Partition coefficient log P in −0.4 to +5.6 range
- Molar refractivity from 40 to 130
- Molecular weight from 160 to 500
- Number of atoms from 20 to 70 (includes H-bond donors and H-bond acceptors )
- Polar surface area no greater than 140 Ǻ2
Over the past decade Lipinski's profiling tool for druglikeness has led to further investigations by scientists to extend profiling tools to lead-like properties of compounds in the hope that a better starting point in early discovery can save time and cost. Some compound searching sites, such as the extensive searching tools on the ASDI website, now allow using Rule-of-5 and other properties to rapidly identify compounds that may be more desirable for high throughput screening and for parallel synthesis efforts.
Read more about this topic: Lipinski's Rule Of Five
Famous quotes containing the word improvements:
“I was interested to see how a pioneer lived on this side of the country. His life is in some respects more adventurous than that of his brother in the West; for he contends with winter as well as the wilderness, and there is a greater interval of time at least between him and the army which is to follow. Here immigration is a tide which may ebb when it has swept away the pines; there it is not a tide, but an inundation, and roads and other improvements come steadily rushing after.”
—Henry David Thoreau (1817–1862)
“... these great improvements of modern times are blessings or curses on us, just in the same ratio as the mental, moral, and religious rule over the animal; or the animal propensities of our nature predominate over the intellectual and moral. The spider elaborates poison from the same flower, in which the bee finds materials out of which she manufactures honey.”
—Harriot K. Hunt (1805–1875)
“The improvements of ages have had but little influence on the essential laws of man’s existence: as our skeletons, probably, are not to be distinguished from those of our ancestors.”
—Henry David Thoreau (1817–1862)