Journal
DRUG DISCOVERY TODAY
Volume 22, Issue 1, Pages 120-126Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2016.08.009
Keywords
-
Categories
Funding
- Programa de Apoyo a la Investigacion y el Posgrado (PAIP) [5000-9163]
- Facultad de Quimica, UNAM
Ask authors/readers for more resources
Molecular complexity is becoming a crucial concept in drug discovery. It has been associated with target selectivity, success in progressing into clinical development and compound safety, among other factors. Multiple metrics have been developed to quantify molecular complexity and explore complexity property relationships. However, there is no general agreement regarding how to measure this molecular feature. Herein, we have surveyed the many roles of molecular complexity in drug discovery discussing in a critical manner different quantification methods. Through the analysis of various reference compound databases, common pitfalls and workarounds of the quantification of molecular complexity are discussed.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available