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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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Xehetasun bibliografikoak
Argitaratua izan da:ACS Omega
Egile Nagusiak: Yonchev, Dimitar, Vogt, Martin, Stumpfe, Dagmar, Kunimoto, Ryo, Miyao, Tomoyuki, Bajorath, Jürgen
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2018
Sarrera elektronikoa: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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