Skip to first unread message
Andrew Orry
Oct 17, 2018, 2:42:45 PM10/17/18
to MolSoft ICM Knowledge Base
Q.
How to adjust the slope and weights in a multi parameter optimization (MPO) ?
A.
How to build a MPO is described here http://www.molsoft.com/gui/mpo.html
To adjust the weights and slope - edit the values in the MPO table and recalculate the MPO.
Andrew Orry
Oct 17, 2018, 4:37:24 PM10/17/18
to MolSoft ICM Knowledge Base
Here is the example of desirability
function with slope 100, low=0, high=600
Compounds with mol weight :
outside 0-600 will get 0 score.
100-500 - will get maximum 1.
0-100, 500-600 linear from 0 to 1
Compounds with mol weight :
outside 0-600 will get 0 score.
100-500 - will get maximum 1.
0-100, 500-600 linear from 0 to 1
Reply all
Reply to author
Forward
0 new messages