import matplotlib.pyplot as plt
import matplotlib.colors as mcolors
from matplotlib.patches import Patch
import numpy as np
from scipy.interpolate import PchipInterpolator
# 1. Original Data (PPAR-gamma Activation)
bins_ppar = np.array([0, 0.05, 0.1, 0.15, 0.2, 0.25, 0.3, 0.35, 0.4, 0.45, 0.5, 0.55, 0.6, 0.65, 0.7, 0.75, 0.8, 0.85, 0.9, 0.95, 1.0])
freq_ppar = np.array([42.63, 22.04, 7.98, 4.84, 3.52, 2.93, 2.68, 2.72, 2.85, 2.34, 1.49, 1.49, 0.98, 0.81, 0.38, 0.25, 0.08, 0.0, 0.0, 0.0, 0.0])
# 2. Statistical Calculations
mean_val = np.average(bins_ppar, weights=freq_ppar)
# PCHIP interpolation to capture exponential decay
interpolator = PchipInterpolator(bins_ppar, freq_ppar)
x_fit = np.linspace(0, 1.0, 500)
y_fit = interpolator(x_fit)
y_fit = np.clip(y_fit, 0, None)
# 3. Color Function (PPARγ Probability Traffic Light)
def get_colors(bins):
return ['#008000' if b < 0.4 else '#FFD700' if b <= 0.7 else '#B22222' for b in bins]
colors_hex = get_colors(bins_ppar)
face_colors = [mcolors.to_rgba(c, alpha=0.60) for c in colors_hex]
edge_colors = [mcolors.to_rgba(c, alpha=0.90) for c in colors_hex]
# 4. Create the chart
plt.figure(figsize=(7, 6))
# Draw bars and empirical curve
plt.bar(bins_ppar, freq_ppar, width=0.04, color=face_colors, edgecolor=edge_colors, linewidth=1.5, zorder=2)
# 5. Tags and Titles
plt.xlabel('PPARγ Activation Probability (Metabolic Disruption Risk)', fontsize=12)
plt.ylabel('% Frequency', fontsize=12)
plt.title('Metabolic Safety: PPARγ Interaction Profile', fontsize=14)
# 6. Structured Legend
legend_elements = [
Patch(facecolor=mcolors.to_rgba('#008000', 0.6), edgecolor='#008000', label='Metabolically Inert (< 0.4)'),
Patch(facecolor=mcolors.to_rgba('#FFD700', 0.6), edgecolor='#FFD700', label='Moderate/Weak Affinity (0.4 - 0.7)'),
Patch(facecolor=mcolors.to_rgba('#B22222', 0.6), edgecolor='#B22222', label='PPARγ Agonist (> 0.7)')
]
plt.legend(handles=legend_elements, loc='upper right', framealpha=0.95, fontsize=10)
plt.grid(axis='y', linestyle=':', alpha=0.7, zorder=0)
plt.xlim(-0.05, 1.05)
plt.ylim(0, 48)
plt.tight_layout()
plt.show()