CompoundDB4j: Integrated drug resource of heterogeneous chemical databases.

Murali V, Königs C, Deekshitula S, Nukala S, Santhi MD, Athri P (2020)
Molecular informatics.

Zeitschriftenaufsatz | E-Veröff. vor dem Druck | Englisch
 
Download
Es wurde kein Volltext hochgeladen. Nur Publikationsnachweis!
Autor*in
Murali, Vidhya; Königs, CassandraUniBi; Deekshitula, Sarvani; Nukala, Saranya; Santhi, Maddala Divya; Athri, Prashanth
Abstract / Bemerkung
Computational approaches to analyze various drug/ compound centered analysis often present a need to map attributes from multiple drug databases. In this study, we provide a Neo4j repository that integrates two of the most prominent open source drug databases, DrugBank and ChEMBL, with a goal of establishing an integrated data visualization and analysis tool for drug discovery studies. The drugs present in DrugBank are mapped to their counterparts in ChEMBL. The integration of these resources and the harmonization using knowledge graph serialization using Neo4j lead to identification of relationships between drugs and other related features that are otherwise spread across two different resources. A common data format, a prerequisite to populate the Neo4j database, enables users to identify new relationships central to drug discovery research, like Drug Target Interactions (DTI). The resource is freely available at: https://github.com/ambf0632/CompoundDB4j. © 2020 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Erscheinungsjahr
2020
Zeitschriftentitel
Molecular informatics
eISSN
1868-1751
Page URI
https://pub.uni-bielefeld.de/record/2943412

Zitieren

Murali V, Königs C, Deekshitula S, Nukala S, Santhi MD, Athri P. CompoundDB4j: Integrated drug resource of heterogeneous chemical databases. Molecular informatics. 2020.
Murali, V., Königs, C., Deekshitula, S., Nukala, S., Santhi, M. D., & Athri, P. (2020). CompoundDB4j: Integrated drug resource of heterogeneous chemical databases. Molecular informatics. doi:10.1002/minf.202000013
Murali, V., Königs, C., Deekshitula, S., Nukala, S., Santhi, M. D., and Athri, P. (2020). CompoundDB4j: Integrated drug resource of heterogeneous chemical databases. Molecular informatics.
Murali, V., et al., 2020. CompoundDB4j: Integrated drug resource of heterogeneous chemical databases. Molecular informatics.
V. Murali, et al., “CompoundDB4j: Integrated drug resource of heterogeneous chemical databases.”, Molecular informatics, 2020.
Murali, V., Königs, C., Deekshitula, S., Nukala, S., Santhi, M.D., Athri, P.: CompoundDB4j: Integrated drug resource of heterogeneous chemical databases. Molecular informatics. (2020).
Murali, Vidhya, Königs, Cassandra, Deekshitula, Sarvani, Nukala, Saranya, Santhi, Maddala Divya, and Athri, Prashanth. “CompoundDB4j: Integrated drug resource of heterogeneous chemical databases.”. Molecular informatics (2020).

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Quellen

PMID: 32390334
PubMed | Europe PMC

Suchen in

Google Scholar