Lipophilicity prediction of peptides and peptide derivatives by consensus machine learning-Reference-Cited by-同舟云学术

Lipophilicity prediction of peptides and peptide derivatives by consensus machine learning

Published:2018 Issue:9 Volume:9 Page:1538-1546
ISSN:2040-2503
Container-title:MedChemComm
language:en
Short-container-title:Med. Chem. Commun.

Author:

Fuchs Jens-Alexander¹²³⁴^ORCID,Grisoni Francesca¹²³⁴⁵^ORCID,Kossenjans Michael⁶⁷⁸⁹,Hiss Jan A.¹²³⁴^ORCID,Schneider Gisbert¹²³⁴^ORCID

Affiliation:

1. Swiss Federal Institute of Technology (ETH)

2. Department of Chemistry and Applied Biosciences

3. 8093 Zürich

4. Switzerland

5. University of Milano-Bicocca

6. AstraZeneca

7. Discovery Sciences

8. 43183 Mölndal

9. Sweden

Abstract

Lipophilicity prediction is routinely applied to small molecules. For compounds outside the domain of classical medicinal chemistry these predictions lack accuracy, advocating the development of bespoke in silico approaches.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

Pharmaceutical Science,Biochemistry,Drug Discovery,Molecular Medicine,Pharmacology,Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/MD/C8MD00370J

Reference40 articles.

1. The influence of lipophilicity in drug discovery and design

2. Lipophilicity in drug discovery

3. Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on more than 96,000 Compounds

4. Peptide therapeutics: current status and future directions

5. Peptidomimetic therapeutics: scientific approaches and opportunities

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