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Molecule Set Comparator (MSC): a CDK-based open rich‐client tool for molecule set similarity evaluations
The open rich-client Molecule Set Comparator (MSC) application enables a versatile and fast comparison of large molecule sets with a unique inter-set molecule-to-molecule mapping obtained e.g. by molecular-recognition-oriented machine learning approaches. The molecule-to-molecule comparison is based...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7852119/ https://www.ncbi.nlm.nih.gov/pubmed/33526050 http://dx.doi.org/10.1186/s13321-021-00485-4 |