From 1bb61d465ffbf7ebce71089a22a92da002e18c80 Mon Sep 17 00:00:00 2001
From: ChungmaruQ <51690359+ChungmaruQ@users.noreply.github.com>
Date: Tue, 2 Mar 2021 10:14:39 -0800
Subject: [PATCH 1/3] Update NPC_ensemble.py

---
 Classifier/NPC_ensemble.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/Classifier/NPC_ensemble.py b/Classifier/NPC_ensemble.py
index 8d4fe9a..f738f34 100644
--- a/Classifier/NPC_ensemble.py
+++ b/Classifier/NPC_ensemble.py
@@ -81,8 +81,8 @@ def classifier(smiles):
     pred_super = model_super.predict(fp)[0]
     pred_path = model_pathway.predict(fp)[0]        
 
-    n_class = list(np.where(pred_class>=0.1)[0])
-    n_super = list(np.where(pred_super>=0.3)[0])
+    n_class = list(np.where(pred_class>=0.5)[0])
+    n_super = list(np.where(pred_super>=0.5)[0])
     n_path = list(np.where(pred_path>=0.5)[0])
 
     if n_path == []:

From 3c61dd25a005967b9df5d45808188e70282e13d1 Mon Sep 17 00:00:00 2001
From: ChungmaruQ <51690359+ChungmaruQ@users.noreply.github.com>
Date: Sun, 14 Mar 2021 16:55:10 -0700
Subject: [PATCH 2/3] Update test.tsv

---
 test/test.tsv | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/test/test.tsv b/test/test.tsv
index eb01cce..1653197 100644
--- a/test/test.tsv
+++ b/test/test.tsv
@@ -12,3 +12,6 @@ CO[C@@H]1[C@@H](CO)O[C@H](Oc2cc(C)cc(Oc3cc(C)cc(O)c3)c2)[C@H](O)[C@H]1O, Polyket
 C1=CC(=C(C(=C1OC2=CC(=C(C=C2Br)Br)Br)Br)Br)Br, Shikimates and Phenylpropanoids, Diphenyl ethers (DPEs), Marine-bacterial DPEs
 C1=CC2=C(C(=C(C3=C2C4=C(O3)C(=C(C=C41)Br)O)O)O)CC5=CC(=C(C(=C5)Br)O)O, Shikimates and Phenylpropanoids, Phenanthrenoids, Phenanthrenes
 CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=CC=C2O)C(=O)O)O, Polyketides, Aromatic polyketides, Benzophenones
+CC(C)=CCCC(C)=CCc1c(O)cc(O)c(C(=O)CC(C)C)c1O, Polyketides, Phloroglucinols, "Prenylated,geranylated phloroglucinols"
+CC1CC2OC(=O)C3=CCCC(C1(C)CCC1=CC(=O)OC1)C32C, Terpenoids, Diterpenoids, Colensane and Clerodane diterpenoids
+

From d3d8a558cb96910ad9cdf952a77c0464d67b9c6c Mon Sep 17 00:00:00 2001
From: ChungmaruQ <51690359+ChungmaruQ@users.noreply.github.com>
Date: Sun, 14 Mar 2021 17:04:27 -0700
Subject: [PATCH 3/3] Update test.tsv

---
 test/test.tsv | 1 -
 1 file changed, 1 deletion(-)

diff --git a/test/test.tsv b/test/test.tsv
index 1653197..22565f3 100644
--- a/test/test.tsv
+++ b/test/test.tsv
@@ -12,6 +12,5 @@ CO[C@@H]1[C@@H](CO)O[C@H](Oc2cc(C)cc(Oc3cc(C)cc(O)c3)c2)[C@H](O)[C@H]1O, Polyket
 C1=CC(=C(C(=C1OC2=CC(=C(C=C2Br)Br)Br)Br)Br)Br, Shikimates and Phenylpropanoids, Diphenyl ethers (DPEs), Marine-bacterial DPEs
 C1=CC2=C(C(=C(C3=C2C4=C(O3)C(=C(C=C41)Br)O)O)O)CC5=CC(=C(C(=C5)Br)O)O, Shikimates and Phenylpropanoids, Phenanthrenoids, Phenanthrenes
 CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=CC=C2O)C(=O)O)O, Polyketides, Aromatic polyketides, Benzophenones
-CC(C)=CCCC(C)=CCc1c(O)cc(O)c(C(=O)CC(C)C)c1O, Polyketides, Phloroglucinols, "Prenylated,geranylated phloroglucinols"
 CC1CC2OC(=O)C3=CCCC(C1(C)CCC1=CC(=O)OC1)C32C, Terpenoids, Diterpenoids, Colensane and Clerodane diterpenoids