Just added a piece of R helper code to calculate Predictiveness metrics for screening results evaluation @ https://t.co/fKCN7tUIfy. Total Gain (TG) and partial Total Gain (pTg). Refs: https://t.co/WlC9EecwMX & https://t.co/2EXqSU9ntG.
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How many compounds should you select from a virtual screen ? Q° made 3000 reads on LinkdIn https://t.co/YMKgiWCqZN https://t.co/WlC9EecwMX https://t.co/SAIjwTX8yL
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Metrics matter. Predictiveness curves as a complement to ROC for the evaluation of screening & VS scores https://t.co/WlC9EecwMX @LeCnam https://t.co/BPoDkasBFW
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RT @MatthieuMontes: Predictiveness curves in virtual screening https://t.co/lBe4s74BbZ #journalofcheminformatics