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RoK descriptors data for available compounds and standards.

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https://figshare.com/articles/dataset/RoK_descriptors_data_for_available_compounds_and_standards_/14997608
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Descriptors are computationally calculated as described in Methods. ME (Maximum Effect) at different time points (i.e. 24, 48 and 72 hours), MCCE (Minimal Concentration with Cidal Effect), MCC50 (Minimal Cidal Concentration 50%), t50%_MCC50 (time elapsed at MCC50 to reduce 50% of initial parasite load), t50%_Cmax (time elapsed at Cmax to reduce 50% of initial parasite load), tlag_MCC50 (time elapsed at MCC50 to reduce parasite burden between two consecutive time points), tlag_Cmax (time elapsed at Cmax to reduce parasite burden between two consecutive time points) and Cmin_Tox (Minimal Cytotoxic Concentration). ND, not determined. Threshold for colours are set as follows: ME, green for values higher than 50, yellow for values between 50 and -10 and red for values lower than -10; MCCE, green colour for values lower than 2 μM, yellow for values between 2 and 6 μM and red for values higher than 6 μM; MCC50, green for values lower than 5, yellow for values between 5 and 16 and red for values higher than -16; t50%_MCC50, t50%_Cmax and tlag_Cmax, green colour were used for values lower than 24 h, yellow for values between 24 and 48h and red for values higher than 48h; tlag_MCC50 green for values lower than 24 h, yellow for 24h and red for values higher than 24h. (XLSX)
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2021-07-16
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