Update app.py

app.py

@@ -269,9 +269,7 @@ def plot_properties_dashboard(df: pd.DataFrame):
         ("Category", "@Category")
     ])
     
-    # --- MODIFICATION ---
     # Common plot configuration - responsive plots with no background fill
-    # Removed fixed width/height and changed sizing_mode to 'scale_width'
     plot_config = {
         'tools': [hover, 'pan,wheel_zoom,box_zoom,reset,save'],
         'sizing_mode': 'scale_width', 
@@ -340,11 +338,18 @@ def plot_properties_dashboard(df: pd.DataFrame):
     
     style_plot(p2, "Hydrogen Bond Donors", "Hydrogen Bond Acceptors", "Lipinski Rule: Hydrogen Bonding")
 
-    # Plot 3: TPSA vs Rotatable Bonds
+    # --- MODIFICATION ---
+    # Plot 3: TPSA vs Rotatable Bonds with guidelines
     p3 = figure(title="Molecular Flexibility & Polarity", **plot_config)
     p3.scatter('TPSA', 'RotBonds', source=source, legend_group='Category',
                color=color_mapper, size=12, alpha=0.8, line_color='white', line_width=0.5)
     
+    # Add permeability guideline lines
+    p3.line([140, 140], [df['RotBonds'].min()-1, df['RotBonds'].max()+1], 
+            line_dash="dashed", line_color="#FFD700", line_width=2, alpha=0.7, legend_label="TPSA ≤ 140")
+    p3.line([df['TPSA'].min()-10, df['TPSA'].max()+10], [10, 10], 
+            line_dash="dashed", line_color="#FFD700", line_width=2, alpha=0.7, legend_label="RotBonds ≤ 10")
+    
     style_plot(p3, "Topological Polar Surface Area (Ų)", "Rotatable Bonds", "Drug Permeability Indicators")
 
     # Plot 4: Enhanced Donut Chart
@@ -407,9 +412,7 @@ def plot_properties_dashboard(df: pd.DataFrame):
     p4.axis.visible = False
     p4.grid.visible = False
 
-    # --- MODIFICATION ---
     # Create responsive grid layout
-    # Changed sizing_mode to 'scale_width' to make the grid responsive
     grid = gridplot([[p1, p2], [p3, p4]], sizing_mode='scale_width', 
                    toolbar_location='right', merge_tools=True)