Hi all,
I'm trying to build a pharmacophore with 17 molecules whose IC50 range form 0.01 to 100.
The Null cost is 169, and the fixed cost is 69, however, the configuation is 17.92. Anybody could tell me why I got this? Thanks in advance!!


Below are the parameter used in my work:Input Ligands ../Input/train.sd
Features HB_ACCEPTOR 0 5, HB_ACCEPTOR_lipid 0 5, HB_DONOR 0 5, HYDROPHOBIC 0 5, HYDROPHOBIC_aromatic 0 5
Maximum Pharmacophores 10
Minimum Features 1
Maximum Features 5
Minimum Interfeature Distance 0.5
Maximum Excluded Volumes 0
Minimum Feature Points 4
Minimum Subset Points 4
Conformation Generation BEST
Maximum Conformations 255
Discard Existing Conformations True
Energy Threshold 10
Ring Fragments File
Save Conformations False
Parallel Processing False
Parallel Processing Batch Size 25
Parallel Processing Server localhost
Parallel Processing Server Processes 2
Parallel Processing Preserve Order True
Weight Variation 0.302
Variable Weights False
Variable Tolerances False
Scale Feature Blob Size 1.0
Explore Exhaustive HBond Geometry True
Align Ligands to Hypothesis True
Fischer Validation None
Browse False
Spreadsheet File
Catalyst Parameter File
CustomDictionary