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Discovery of drugs against newly emerged pathogenic agents like the SARS-CoV-2 coronavirus (CoV) must be based on previous research against related species Scientists need to get acquainted with and develoa global oversight over so-far tested molecules Chemography (herein used Generative Topographic Mapping, in particular) places structures on a human-readable 2D ma(obtained by dimensionality reduction of the chemical space of molecular descriptors) and is thus well suited for such an audit /The goal is to mamedicinal chemistry efforts so far targeted against CoVs This includes comparing libraries tested against various virus species/genera, predicting their polypharmacological profiles and highlighting often encountered chemotypes Maps are challenged to provide predictive activity landscapes against viral proteins Definition of “anti-CoV†mazones led to selection of therein residing 380 potential anti-CoV agents, out of a vast pool of 800M organic compounds
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A Chemographic Audit of Anti-Coronavirus Structure-Activity Information from Public Databases (ChEMBL)
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