Web Server and R Library for the Calculation of Markov Chains Molecular Descriptors

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http://hdl.handle.net/2183/26535Collections
- Investigación (FIC) [1617]
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Web Server and R Library for the Calculation of Markov Chains Molecular DescriptorsAuthor(s)
Date
2020-08-20Citation
Carracedo-Reboredo, P.; Munteanu, C.R.; González-Díaz, H.; Fernandez-Lozano, C. Web Server and R Library for the Calculation of Markov Chains Molecular Descriptors. Proceedings 2020, 54, 28.
Abstract
{Abstract]
Markov Chain Molecular Descriptors (MCDs) have been largely used to solve Cheminformatics problems. The software to perform the calculation is not always available for general users. In this work, we developed the first library in R for the calculation of MCDs and we also report the first public web server for the calculation of MCDs online that include the calculation of a new class of MCDs called Markov Singular values. We also report the first Cheminformatics study of the biological activity of 5644 compounds against colorectal cancer.
Keywords
Markov Chains
Online tool
R
Colorectal cancer
Online tool
R
Colorectal cancer
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Rights
Atribución 4.0 España
ISSN
2504-3900