Investigations

Created on March 20|Last edited on April 8
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valid1/pearsonR
valid1/pearsonR
5M10M15M20MStep0.250.30.350.40.45
Group   Triplet Perms NoCyc
Group   Triplet Combo Cyc=0.05
Group   Triplet Combo Cyc=0.33
valid2/pearsonR
valid2/pearsonR
5M10M15M20MStep0.20.250.30.350.4
Group   Triplet Perms NoCyc
Group   Triplet Combo Cyc=0.05
Group   Triplet Combo Cyc=0.33
valid2/RMSE
valid2/RMSE
5M10M15M20MStep1.11.151.21.251.3
Group   Triplet Perms NoCyc
Group   Triplet Combo Cyc=0.05
Group   Triplet Combo Cyc=0.33
valid1/RMSE
valid1/RMSE
5M10M15M20MStep1.11.151.21.25
Group   Triplet Perms NoCyc
Group   Triplet Combo Cyc=0.05
Group   Triplet Combo Cyc=0.33
 
Pair Perms0
 
Pair Combo0
 
Big Pair C0
 
Big Pair C(no trans)0
 
Big Pair C (4 trans)0
Big Pair P0
 
Big Pair C (LPF)0
 
Triplet Combo NoCyc4
 
Triplet Combo Cyc4
Triplet Perms NoCyc5
 
Triplet Perm Cyc5
 
Big Triplet Perm Cyc5
Triplet Combo Cyc=0.059
 
Big Triplet Combo Cyc=0.055
Triplet Combo Cyc=0.335
 
Triplet Perm Cyc=0.055
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Pairs
1 Addnl Ligand﻿
Pair Perms0
Pair Combo0
 
Big Pair C0
 
Big Pair C(no trans)0
 
Big Pair P0
 
Big Pair C (4 trans)0
 
Big Pair C (LPF)0
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Understanding P vs C
Triplets
1 Addnl Ligand
2 Addnl Ligands﻿
Triplet Combo NoCyc5
Triplet Combo Cyc5
Triplet Combo Cyc=0.055
Triplet Perm NoCyc4
Triplet Perm Cyc=0.050
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Triplet Combo NoCyc5
Triplet Combo Cyc5
Triplet Perm NoCyc4
Triplet Perm Cyc=0.050
Triplet Combo Cyc=0.055
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