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Quantitative Comparison of Three-Dimensional Activity Landscapes of Compound Data Sets Based upon Topological Features

[Image: see text] Visualization of structure–activity relationships (SARs) in compound data sets substantially contributes to their systematic analysis. For SAR visualization, different types of activity landscape (AL) representations have been introduced. Three-dimensional (3D) AL models in which a...

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Bibliografski detalji
Izdano u:ACS Omega
Glavni autori: Iqbal, Javed, Vogt, Martin, Bajorath, Jürgen
Format: Artigo
Jezik:Inglês
Izdano: American Chemical Society 2020
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7513547/
https://ncbi.nlm.nih.gov/pubmed/32984733
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c03659
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