diff --git a/molscore/configs/MolOpt/Albuterol_similarity.json b/molscore/configs/MolOpt/Albuterol_similarity.json
index 96f39fd809..ce26d50cd9 100644
--- a/molscore/configs/MolOpt/Albuterol_similarity.json
+++ b/molscore/configs/MolOpt/Albuterol_similarity.json
@@ -17,7 +17,7 @@
           "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": true,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Amlodipine_MPO.json b/molscore/configs/MolOpt/Amlodipine_MPO.json
index 36158e8b82..76936245b7 100644
--- a/molscore/configs/MolOpt/Amlodipine_MPO.json
+++ b/molscore/configs/MolOpt/Amlodipine_MPO.json
@@ -17,7 +17,7 @@
           "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Celecoxxib_rediscovery.json b/molscore/configs/MolOpt/Celecoxxib_rediscovery.json
index 8691b8d929..144a902479 100644
--- a/molscore/configs/MolOpt/Celecoxxib_rediscovery.json
+++ b/molscore/configs/MolOpt/Celecoxxib_rediscovery.json
@@ -17,7 +17,7 @@
           "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Deco_hop.json b/molscore/configs/MolOpt/Deco_hop.json
index e0d80527a7..caa56895dc 100644
--- a/molscore/configs/MolOpt/Deco_hop.json
+++ b/molscore/configs/MolOpt/Deco_hop.json
@@ -53,7 +53,7 @@
           "CCCOc1cc2ncnc(Nc3ccc4ncsc4c3)c2cc1S(=O)(=O)C(C)(C)C"
         ],
         "fp": "PHCO",
-        "bits": 1024,
+        "bits": 16384,
         "similarity_measure": "Tanimoto",
         "method": "mean",
         "n_jobs": 1
@@ -87,9 +87,9 @@
         "modifier": "lin_thresh",
         "parameters": {
           "objective": "maximize",
-          "upper": 0.75,
+          "upper": 0.85,
           "lower": 0.0,
-          "buffer": 0.75
+          "buffer": 0.85
         }
       }
     ]
diff --git a/molscore/configs/MolOpt/Fexofenadine_MPO.json b/molscore/configs/MolOpt/Fexofenadine_MPO.json
index 5b96a5f695..ddb46126a8 100644
--- a/molscore/configs/MolOpt/Fexofenadine_MPO.json
+++ b/molscore/configs/MolOpt/Fexofenadine_MPO.json
@@ -17,7 +17,7 @@
           "CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O"
         ],
         "fp": "AP",
-        "bits": 1024,
+        "bits": 16384,
         "similarity_measure": "Tanimoto",
         "method": "mean",
         "n_jobs": 1
@@ -53,7 +53,7 @@
         "parameters": {
           "objective": "maximize",
           "mu": 90.0,
-          "sigma": 2.0
+          "sigma": 10.0
         }
       },
       {
@@ -63,7 +63,7 @@
         "parameters": {
           "objective": "minimize",
           "mu": 4.0,
-          "sigma": 2.0
+          "sigma": 1.0
         }
       }
     ]
diff --git a/molscore/configs/MolOpt/Median_molecules_1.json b/molscore/configs/MolOpt/Median_molecules_1.json
index f2a97e4236..7d2ba99381 100644
--- a/molscore/configs/MolOpt/Median_molecules_1.json
+++ b/molscore/configs/MolOpt/Median_molecules_1.json
@@ -17,7 +17,7 @@
           "CC1(C)[C@H]2CC[C@]1(C)C(=O)C2"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Median_molecules_2.json b/molscore/configs/MolOpt/Median_molecules_2.json
index 2b35b6d8bf..e0aa976a40 100644
--- a/molscore/configs/MolOpt/Median_molecules_2.json
+++ b/molscore/configs/MolOpt/Median_molecules_2.json
@@ -17,7 +17,7 @@
           "CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O"
         ],
         "radius": 3,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
@@ -33,7 +33,7 @@
           "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12"
         ],
         "radius": 3,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Mestranol_similarity.json b/molscore/configs/MolOpt/Mestranol_similarity.json
index 73c5282fd9..2007b6cdba 100644
--- a/molscore/configs/MolOpt/Mestranol_similarity.json
+++ b/molscore/configs/MolOpt/Mestranol_similarity.json
@@ -17,7 +17,7 @@
           "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC"
         ],
         "fp": "AP",
-        "bits": 1024,
+        "bits": 16384,
         "similarity_measure": "Tanimoto",
         "method": "mean",
         "n_jobs": 1
diff --git a/molscore/configs/MolOpt/Osimertinib_MPO.json b/molscore/configs/MolOpt/Osimertinib_MPO.json
index 405b838d11..ff57ce3286 100644
--- a/molscore/configs/MolOpt/Osimertinib_MPO.json
+++ b/molscore/configs/MolOpt/Osimertinib_MPO.json
@@ -17,7 +17,7 @@
           "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": true,
         "counts": true,
         "method": "max",
@@ -33,7 +33,7 @@
           "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C"
         ],
         "radius": 3,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
@@ -70,7 +70,7 @@
         "parameters": {
           "objective": "minimize",
           "mu": 0.85,
-          "sigma": 2.0
+          "sigma": 0.1
         }
       },
       {
@@ -80,7 +80,7 @@
         "parameters": {
           "objective": "maximize",
           "mu": 100.0,
-          "sigma": 2.0
+          "sigma": 10.0
         }
       },
       {
@@ -90,7 +90,7 @@
         "parameters": {
           "objective": "minimize",
           "mu": 1.0,
-          "sigma": 2.0
+          "sigma": 1.0
         }
       }
     ]
diff --git a/molscore/configs/MolOpt/Perindopril_MPO.json b/molscore/configs/MolOpt/Perindopril_MPO.json
index 666e0c0197..2684748445 100644
--- a/molscore/configs/MolOpt/Perindopril_MPO.json
+++ b/molscore/configs/MolOpt/Perindopril_MPO.json
@@ -17,7 +17,7 @@
           "CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Ranolazine_MPO.json b/molscore/configs/MolOpt/Ranolazine_MPO.json
index 26d941191f..6831f68db0 100644
--- a/molscore/configs/MolOpt/Ranolazine_MPO.json
+++ b/molscore/configs/MolOpt/Ranolazine_MPO.json
@@ -17,7 +17,7 @@
           "CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O"
         ],
         "fp": "AP",
-        "bits": 1024,
+        "bits": 16384,
         "similarity_measure": "Tanimoto",
         "method": "mean",
         "n_jobs": 1
diff --git a/molscore/configs/MolOpt/Scaffold_hop.json b/molscore/configs/MolOpt/Scaffold_hop.json
index f80b612b70..7c5852fa56 100644
--- a/molscore/configs/MolOpt/Scaffold_hop.json
+++ b/molscore/configs/MolOpt/Scaffold_hop.json
@@ -26,7 +26,7 @@
       "parameters": {
         "prefix": "S6",
         "smarts": [
-          "[#6]-[#6]-[#6]-[#8]-[#6]\u223c[#6]\u223c[#6]\u223c[#6]\u223c[#6]-[#7]-c1ccc2ncsc2c1"
+          "[#6]-[#6]-[#6]-[#8]-[#6]~[#6]~[#6]~[#6]~[#6]-[#7]-c1ccc2ncsc2c1"
         ],
         "n_jobs": 1,
         "method": "any"
@@ -41,7 +41,7 @@
           "CCCOc1cc2ncnc(Nc3ccc4ncsc4c3)c2cc1S(=O)(=O)C(C)(C)C"
         ],
         "fp": "PHCO",
-        "bits": 1024,
+        "bits": 16384,
         "similarity_measure": "Tanimoto",
         "method": "mean",
         "n_jobs": 1
diff --git a/molscore/configs/MolOpt/Sitagliptin_MPO.json b/molscore/configs/MolOpt/Sitagliptin_MPO.json
index 55ba6a377d..dfba80b421 100644
--- a/molscore/configs/MolOpt/Sitagliptin_MPO.json
+++ b/molscore/configs/MolOpt/Sitagliptin_MPO.json
@@ -17,7 +17,7 @@
           "C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Thiothixene_rediscovery.json b/molscore/configs/MolOpt/Thiothixene_rediscovery.json
index a0b5b27df5..23d5626cac 100644
--- a/molscore/configs/MolOpt/Thiothixene_rediscovery.json
+++ b/molscore/configs/MolOpt/Thiothixene_rediscovery.json
@@ -17,7 +17,7 @@
           "CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Troglitazone_rediscovery.json b/molscore/configs/MolOpt/Troglitazone_rediscovery.json
index 9135dca36f..739d6b1993 100644
--- a/molscore/configs/MolOpt/Troglitazone_rediscovery.json
+++ b/molscore/configs/MolOpt/Troglitazone_rediscovery.json
@@ -17,7 +17,7 @@
           "Cc1c(C)c2OC(C)(CCc2c(C)c1O)COc1ccc(CC2SC(=O)NC2=O)cc1"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/configs/MolOpt/Zaleplon_MPO.json b/molscore/configs/MolOpt/Zaleplon_MPO.json
index 1c5bb6f86e..926a1874cb 100644
--- a/molscore/configs/MolOpt/Zaleplon_MPO.json
+++ b/molscore/configs/MolOpt/Zaleplon_MPO.json
@@ -17,7 +17,7 @@
           "CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1"
         ],
         "radius": 2,
-        "bits": 1024,
+        "bits": 16384,
         "features": false,
         "counts": true,
         "method": "max",
diff --git a/molscore/manager.py b/molscore/manager.py
index de78eeaede..810bf1647f 100644
--- a/molscore/manager.py
+++ b/molscore/manager.py
@@ -956,7 +956,6 @@ class MolScoreBenchmark:
         "GuacaMol_Scaffold": resources.files("molscore.configs.GuacaMol_Scaffold"),
         "MolOpt": resources.files("molscore.configs.MolOpt"),
         "MolOpt-CF": resources.files("molscore.configs.MolOpt-CF"),
-        "MolOpt-DF": resources.files("molscore.configs.MolOpt-DF"),
         "5HT2A_PhysChem": resources.files("molscore.configs.5HT2A.PhysChem"),
         "5HT2A_Selectivity": resources.files(
             "molscore.configs.5HT2A.PIDGIN_Selectivity"
diff --git a/molscore/scoring_functions/isomer.py b/molscore/scoring_functions/isomer.py
index 48ccf952f8..235364b8a8 100644
--- a/molscore/scoring_functions/isomer.py
+++ b/molscore/scoring_functions/isomer.py
@@ -51,7 +51,6 @@ def calculate_isomer_score(self, smi):
             query_formula = Descriptors.rdMolDescriptors.CalcMolFormula(mol)
             query_elements = self.formula2elements(query_formula)
             elements = set(self.ref_elements)
-            elements.update(query_elements)
             scores = []
             # Add per element scores
             for e in elements:
diff --git a/molscore/scoring_functions/legacy_qsar.py b/molscore/scoring_functions/legacy_qsar.py
index 9964ac0963..b767eb5c1b 100644
--- a/molscore/scoring_functions/legacy_qsar.py
+++ b/molscore/scoring_functions/legacy_qsar.py
@@ -48,7 +48,7 @@ class LegacyQSAR(BaseServerSF):
             resources.files("molscore.data.models.molopt"),
             "gsk3b.pkl",
             "legacy_qsar_server.py",
-            "ECFP6",
+            "ECFP4",
             2048,
         ),
         "molopt_GSK3B_current": (
@@ -56,7 +56,7 @@ class LegacyQSAR(BaseServerSF):
             resources.files("molscore.data.models.molopt"),
             "gsk3b_current.pkl",
             "legacy_qsar_server.py",
-            "ECFP6",
+            "ECFP4",
             2048,
         ),
         "molopt_JNK3": (
@@ -64,7 +64,7 @@ class LegacyQSAR(BaseServerSF):
             resources.files("molscore.data.models.molopt"),
             "jnk3.pkl",
             "legacy_qsar_server.py",
-            "ECFP6",
+            "ECFP4",
             2048,
         ),
         "molopt_JNK3_current": (
@@ -72,7 +72,7 @@ class LegacyQSAR(BaseServerSF):
             resources.files("molscore.data.models.molopt"),
             "jnk3_current.pkl",
             "legacy_qsar_server.py",
-            "ECFP6",
+            "ECFP4",
             2048,
         ),
     }