Cheminformatics Microservice: unifying access to open cheminformatics toolkits

In recent years, cheminformatics has experienced significant advancements through the development of new open-source software tools based on various cheminformatics programming toolkits. However, adopting these toolkits presents challenges, including proper installation, setup, deployment, and compa...

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Veröffentlicht in:	Journal of cheminformatics Jg. 15; H. 1; S. 98 - 11
Hauptverfasser:	Chandrasekhar, Venkata, Sharma, Nisha, Schaub, Jonas, Steinbeck, Christoph, Rajan, Kohulan
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Cham Springer International Publishing 16.10.2023 Springer Nature B.V BMC
Schlagworte:	CDK Cheminformatics Chemistry Chemistry and Materials Science Computational Biology/Bioinformatics Computer Applications in Chemistry Documentation and Information in Chemistry Improving Reproducibility and Reusability in the Journal of Cheminformatics Informatics Microservice Open Babel Open source software RDKit Software Source code Theoretical and Computational Chemistry Toolkits Version control Toolkits Cheminformatics Microservice CDK Open Babel RDKit
ISSN:	1758-2946, 1758-2946
Online-Zugang:	Volltext
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