From 1f71fc7bea002cf3b3f4e2124177d983aee878ae Mon Sep 17 00:00:00 2001 From: kilian Date: Thu, 28 May 2026 14:04:21 +0200 Subject: [PATCH] Dateien nach "ILP" hochladen --- ILP/nmrSimilarity.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/ILP/nmrSimilarity.py b/ILP/nmrSimilarity.py index c55ba38..0e644f8 100644 --- a/ILP/nmrSimilarity.py +++ b/ILP/nmrSimilarity.py @@ -1,4 +1,5 @@ #Also ILP? Minimize distance becuse two vectors might be shifted to oneanother (high weight on height distance to keep same height) +#Zu hohe Komplexität bei Skalierung import gurobipy as gp from gurobipy import GRB, Model, quicksum @@ -158,4 +159,4 @@ def build_model(name, nmrnode, nmrmeasured, excluded_support=None): #Maximize likelihood or minimize Deviation #Values for two spectra and optimize largest for both different? #Spectra in Nodes to allow maximize overlapp with both spectra or one spectra. - #5.4.2 Eliminating X–H signals from 1H NMR spectra \ No newline at end of file + #Vergleiche PCA, Binning (Größere Schwankungen zwischen den Methoden) \ No newline at end of file