Show simple item record

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

dc.contributor.authorCarracedo Reboredo, Paula
dc.contributor.authorMunteanu, Cristian R.
dc.contributor.authorGonzález Díaz, Humberto
dc.contributor.authorFernández Lozano, Carlos
dc.date.accessioned2020-09-23T10:54:53Z
dc.date.available2020-09-23T10:54:53Z
dc.date.issued2020-08-20
dc.identifier.citationProceedings 54(1) : (2020) // Article ID 28es_ES
dc.identifier.issn2504-3900
dc.identifier.urihttp://hdl.handle.net/10810/46198
dc.description.abstractMarkov 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.es_ES
dc.language.isoenges_ES
dc.publisherMDPIes_ES
dc.rightsinfo:eu-repo/semantics/openAccesses_ES
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/es/
dc.subjectMarkov Chainses_ES
dc.subjectonline tooles_ES
dc.subjectRes_ES
dc.subjectcolorectal canceres_ES
dc.titleWeb Server and R Library for the Calculation of Markov Chains Molecular Descriptorses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.date.updated2020-08-21T13:50:23Z
dc.rights.holder2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).es_ES
dc.relation.publisherversionhttps://www.mdpi.com/2504-3900/54/1/28es_ES
dc.identifier.doi10.3390/proceedings2020054028
dc.departamentoesQuímica orgánica II
dc.departamentoeuKimika organikoa II


Files in this item

Thumbnail
Name:
proceedings-54-00028.pdf
Size:
431.9Kb
Format:
PDF
Description:
Artículo principal
View/Open

This item appears in the following Collection(s)

Show simple item record

2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Except where otherwise noted, this item's license is described as 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).