Terrestrial Environmental Hazard: Acute Toxicity (Apis mellifera) Dashboard

DrugBank database
MolPort database
Python script number 110 to build the frequency distribution graph of the Honey_bee_toxicity parameter on DrugBank molecules.
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. PASTE YOUR DATA HERE (Honey_bee_toxicity)
datos_crudos = """Bin Center	% Frequency
0	0.934182590233546
0.05	13.3333333333333
0.1	15.1592356687898
0.15	10.3184713375796
0.2	8.49256900212314
0.25	7.09129511677282
0.3	7.21868365180467
0.35	7.85562632696391
0.4	6.96390658174098
0.45	5.52016985138004
0.5	4.11889596602972
0.55	2.92993630573248
0.6	1.78343949044586
0.65	1.86836518046709
0.7	2.03821656050955
0.75	1.6135881104034
0.8	1.27388535031847
0.85	0.636942675159236
0.9	0.382165605095541
0.95	0.467091295116773
1	0"""

# 2. AUTOMATIC PROCESSING
lineas = datos_crudos.strip().split('\n')[1:] 
bins_array = []
freq_array = []

for linea in lineas:
    b, f = linea.strip().split() 
    bins_array.append(float(b))
    freq_array.append(float(f))

bins = np.array(bins_array)
freq = np.array(freq_array)
mean_val = np.average(bins, weights=freq)

interpolator = PchipInterpolator(bins, freq)
x_fit = np.linspace(min(bins), max(bins), 500)
y_fit = interpolator(x_fit)
y_fit = np.clip(y_fit, 0, None)

def get_colors(b_array):
    return ['#008000' if b < 0.4 else '#FFD700' if b <= 0.7 else '#B22222' for b in b_array]

colors_hex = get_colors(bins)
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]

# 3. CREATION OF THE GRAPH
plt.figure(figsize=(7, 6))

plt.bar(bins, freq, width=0.04, color=face_colors, edgecolor=edge_colors, linewidth=1.5, zorder=2)

# 4. LABELS AND TITLES
plt.xlabel('Honey Bee Toxicity Probability (LC50 < 11 µg/bee)', fontsize=12)
plt.ylabel('% Frequency', fontsize=12)
plt.title('Terrestrial Environmental Hazard: Acute Toxicity (Apis mellifera)', fontsize=14)

legend_elements = [
    Patch(facecolor=mcolors.to_rgba('#008000', 0.6), edgecolor='#008000', label='Non-Toxic / Safe (< 0.4)'),
    Patch(facecolor=mcolors.to_rgba('#FFD700', 0.6), edgecolor='#FFD700', label='Moderate Risk (0.4 - 0.7)'),
    Patch(facecolor=mcolors.to_rgba('#B22222', 0.6), edgecolor='#B22222', label='High Acute Toxicity (> 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, max(freq) * 1.2) 
plt.tight_layout()

plt.show()