Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
https://link.springer.com/content/pdf/10.1007/s10822-021-00409-2.pdf
Reference48 articles.
1. Waring MJ (2010) Lipophilicity in drug discovery. Expert Opin Drug Discov 5:235–248. https://doi.org/10.1517/17460441003605098
2. Yang X, Wang Y, Byrne R et al (2019) Concepts of artificial intelligence for computer-assisted drug discovery. Chem Rev 119:10520–10594
3. Lobo S (2020) Is there enough focus on lipophilicity in drug discovery? Expert Opin Drug Discov 15:261–263
4. Miller RR, Madeira M, Wood HB et al (2020) Integrating the impact of lipophilicity on potency and pharmacokinetic parameters enables the use of diverse chemical space during small molecule drug optimization. J Med Chem 63:12156–12170. https://doi.org/10.1021/acs.jmedchem.9b01813
5. Kakehashi H, Shima N, Ishikawa A et al (2020) Effects of lipophilicity and functional groups of synthetic cannabinoids on their blood concentrations and urinary excretion. Forensic Sci Int. https://doi.org/10.1016/j.forsciint.2019.110106
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