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

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UDC.coleccionInvestigaciónes_ES
UDC.conferenceTitle3rd XoveTIC Conference; A Coruña, Spain; 8–9 October 2020es_ES
UDC.departamentoCiencias da Computación e Tecnoloxías da Informaciónes_ES
UDC.grupoInvRedes de Neuronas Artificiais e Sistemas Adaptativos -Informática Médica e Diagnóstico Radiolóxico (RNASA - IMEDIR)es_ES
UDC.issue1es_ES
UDC.journalTitleProceedingses_ES
UDC.startPage28es_ES
UDC.volume54es_ES
dc.contributor.authorCarracedo-Reboredo, Paula
dc.contributor.authorMunteanu, Cristian-Robert
dc.contributor.authorGonzález-Díaz, Humberto
dc.contributor.authorFernández-Lozano, Carlos
dc.date.accessioned2020-10-26T17:19:31Z
dc.date.available2020-10-26T17:19:31Z
dc.date.issued2020-08-20
dc.description.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.es_ES
dc.identifier.citationCarracedo-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.es_ES
dc.identifier.doi10.3390/proceedings2020054028
dc.identifier.issn2504-3900
dc.identifier.urihttp://hdl.handle.net/2183/26535
dc.language.isoenges_ES
dc.publisherMDPI AGes_ES
dc.relation.urihttps://doi.org/10.3390/proceedings2020054028es_ES
dc.rightsAtribución 4.0 Españaes_ES
dc.rights.accessRightsopen accesses_ES
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/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.typeconference outputes_ES
dspace.entity.typePublication
relation.isAuthorOfPublicationfac98c9d-7cc7-4b09-bbb1-1068637fc73f
relation.isAuthorOfPublicatione5ddd06a-3e7f-4bf4-9f37-5f1cf3d3430a
relation.isAuthorOfPublication.latestForDiscoveryfac98c9d-7cc7-4b09-bbb1-1068637fc73f

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