MVS-A (Figure ). All six inhibitors could be found within the top 100 primary HTS hits by our approach, with five of them in the top 20 (Figure ). Notably, among these five compounds there was also ML352, the best inhibitor from the screening campaign, which also showed suitable ADME properties. In contrast, ranking by experimental readout from the primary screen is far less efficient, with ML352, CHT5 and CHT3 ranking between 150 th and 500 th , CHT1 around 750 th , CHT2 around 2300 th and CHT4 is reported inactive (Figure and Figure ). The fact that MVS-A is able to detect false negatives like CHT4 is especially relevant, since mining dark chemical matter in HTS data is a promising but largely unexplored starting point for drug discovery, given the lack of in-silico approaches to determine which samples to reinvestigate.