@probesanddrugs Has anyone on here independently benchmarked PAINS against Badapple ? https://t.co/5CwIJdm4TX
723 followers
723 followers
RT @ssirimulla: @davidlmobley QED and Rd-filters are great, as few others suggested here. I would additionally check for the prosmicuity of…
366 followers
@davidlmobley QED and Rd-filters are great, as few others suggested here. I would additionally check for the prosmicuity of the compounds using Badapple score (developed by Tudor Oprea's group) and proritize the compounds that does not have promiscuous sca
10,290 followers
RT @rguha: Oprea mentions badapple https://t.co/CEAy2fL966 and https://t.co/LWwnwEAtVy #ACSPhilly #compchem