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Increasing the public activity cliff knowledge base with new categories of activity cliffs

AIM: Extending the public knowledge base of activity cliffs (ACs) with new categories of ACs having special structural characteristics. METHODOLOGY: Dual-site ACs, isomer ACs and ACs with privileged substructures are described and their systematic identification is detailed. EXEMPLARY RESULTS &...

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Veröffentlicht in:Future Sci OA
Hauptverfasser: Hu, Huabin, Bajorath, Jürgen
Format: Artigo
Sprache:Inglês
Veröffentlicht: Future Science Ltd 2020
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7273365/
https://ncbi.nlm.nih.gov/pubmed/32518687
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.2144/fsoa-2020-0020
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