Finding Needles in a Haystack: Determining Key Molecular Descriptors Associated with the Blood‐brain Barrier Entry of Chemical Compounds Using Machine Learning-Reference-Cited by-同舟云学术

Finding Needles in a Haystack: Determining Key Molecular Descriptors Associated with the Blood‐brain Barrier Entry of Chemical Compounds Using Machine Learning

Published:2019-07-19 Issue:8-9 Volume:38 Page:1800164
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Majumdar Subhabrata¹²^ORCID,Basak Subhash C.³,Lungu Claudiu N.⁴,Diudea Mircea V.⁴,Grunwald Gregory D.⁵

Affiliation:

1. University of Florida Informatics Institute 432 Newell Dr, CISE Bldg E251 Gainesville FL 32611 USA

2. Currently at: AT&T Labs Research

3. Department of Chemistry and BiochemistryUniversity of Minnesota 246 Chemistry Building, 1039 University Drive Duluth MN 55812 USA

4. Department of ChemistryBabes-Bolyai University Strada Arany János 11 Cluj-Napoca 400028 Romania

5. Natural Resources Research InstituteUniversity of Minnesota 5013 Miller Trunk Highway Duluth MN 55811 USA.

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.201800164

Reference56 articles.

1. Recent Advances in Computational Prediction of Drug Absorption and Permeability in Drug Discovery

2. On The Rate and Extent of Drug Delivery to the Brain

3. Progress in Brain Penetration Evaluation in Drug Discovery and Development

4. Brain drug targeting: a computational approach for overcoming blood–brain barrier

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