Murray, C. W. and Erlanson, D. A. and Hopkins, A. L. and Keserű, György Miklós and Leeson, P. D. (2014) Validity of Ligand Efficiency Metrics. ACS MEDICINAL CHEMISTRY LETTERS, 5 (6). pp. 616-618. ISSN 1948-5875
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Abstract
A recent viewpoint article (Improving the plausibility of success with inefficient metrics. ACS Med. Chem. Lett. 2014, 5, 2-5) argued that the standard definition of ligand efficiency (LE) is mathematically invalid. In this viewpoint, we address this criticism and show categorically that the definition of LE is mathematically valid. LE and other metrics such as lipophilic ligand efficiency (LLE) can be useful during the multiparameter optimization challenge faced by medicinal chemists.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DISCOVERY |
| Subjects: | R Medicine / orvostudomány > R1 Medicine (General) / orvostudomány általában |
| SWORD Depositor: | MTMT SWORD |
| Depositing User: | MTMT SWORD |
| Date Deposited: | 14 Nov 2014 10:58 |
| Last Modified: | 01 Nov 2015 00:15 |
| URI: | http://real.mtak.hu/id/eprint/18376 |
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