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molecular complexity descriptor [message #204] Wed, 02 November 2016 22:37 Go to previous message
dataviz is currently offline  dataviz
Messages: 5
Registered: November 2016
Junior Member
Hello
i just read a recent review in DDT 2016 (O Mendez-Lucio et al) about molecular complexity computed by different tools including datawarrior. I asked the authors and they used version 4.2.2 to compute this descriptor but it seems that this is not present in version 4.4.3 ? while this parameter seems valuable... maybe of interest to plug it back ?
many thanks
Bruno
 
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