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Cover Picture: Consistent Cell‐selective Analog Series as Constellation Luminaries in Chemical Space (Mol. Inf. 12/2020)
Author(s) -
Naveja J. Jesús,
MedinaFranco José L.
Publication year - 2020
Publication title -
molecular informatics
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.481
H-Index - 68
eISSN - 1868-1751
pISSN - 1868-1743
DOI - 10.1002/minf.202081201
Subject(s) - chemical space , series (stratigraphy) , constellation , space (punctuation) , flexibility (engineering) , computer science , cover (algebra) , mathematics , bioinformatics , physics , statistics , biology , engineering , astronomy , drug discovery , mechanical engineering , paleontology , operating system
This manuscript is dedicated to all people affected directly or indirectly by the COVID‐19 pandemic.Initially proposed by Bajorath and colleagues, the concept of analog series is evolving as a novel data‐driven paradigm useful in making sense of high‐throughput screening data and other large chemical libraries. This concept allows not to talk only of individual hits in a screening, but even about potential leads or families of compounds with good performance in any large‐scale testing. In this case, we have devised new statistics to identify consistently selective analog series against specific cancer cell lines; such analog series can be seen as constellations in the chemical space containing bright stars. The flexibility of the analog series can still lead to several applications. More details can be found in the Full Paper by Jesús Naveja, and José L. Medina‐Franco, please see DOI 10.1002/minf.202000061.