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 (Aryl Hydrocarbon Receptor - AhR)
bins_ahr = 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_ahr = np.array([36.90, 21.74, 9.51, 5.90, 4.20, 3.74, 3.23, 2.04, 2.21, 1.23, 1.40, 1.32, 1.10, 0.81, 1.02, 1.23, 0.68, 0.76, 0.59, 0.38, 0.0])
# 2. Statistical Calculations
mean_val = np.average(bins_ahr, weights=freq_ahr)
# PCHIP interpolation to capture exponential decay
interpolator = PchipInterpolator(bins_ahr, freq_ahr)
x_fit = np.linspace(0, 1.0, 500)
y_fit = interpolator(x_fit)
y_fit = np.clip(y_fit, 0, None)
# 3. Color Function (AhR 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_ahr)
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_ahr, freq_ahr, width=0.04, color=face_colors, edgecolor=edge_colors, linewidth=1.5, zorder=2)
# 5. Tags and Titles
plt.xlabel('AhR Interaction Probability (Xenobiotic Sensor Potential)', fontsize=12)
plt.ylabel('% Frequency', fontsize=12)
plt.title('Metabolic Toxicity: Aryl Hydrocarbon Receptor (AhR)', fontsize=14)
# 6. Structured Legend
legend_elements = [
Patch(facecolor=mcolors.to_rgba('#008000', 0.6), edgecolor='#008000', label='Safe / Non-Interactor (< 0.4)'),
Patch(facecolor=mcolors.to_rgba('#FFD700', 0.6), edgecolor='#FFD700', label='Moderate Probability (0.4 - 0.7)'),
Patch(facecolor=mcolors.to_rgba('#B22222', 0.6), edgecolor='#B22222', label='AhR Activator / High Risk (> 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, 40)
plt.tight_layout()
plt.show()