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Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

[Image: see text] Assessing the degree to which analogue series are chemically saturated is of major relevance in compound optimization. Decisions to continue or discontinue series are typically made on the basis of subjective judgment. Currently, only very few methods are available to aid in decisi...

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Bibliografiske detaljer
Udgivet i:ACS Omega
Main Authors: Yonchev, Dimitar, Vogt, Martin, Stumpfe, Dagmar, Kunimoto, Ryo, Miyao, Tomoyuki, Bajorath, Jürgen
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2018
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6288787/
https://ncbi.nlm.nih.gov/pubmed/30556013
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b02087
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