## 3 Results
### Toxicity Prediction  
The compounds evaluated were classified into different toxicity categories based on the predicted LD\({}_{50}\) values (lethal doses for 50 percent of individuals), and the scale included six classes (Table 2). The compounds defined as class 6, which contains six compounds, have a predicted LD\({}_{50}\) of more than 10,000 mg/kg, which indicates low toxicity. Class 5 includes 18 compounds with an LD\({}_{50}\) between 5000 and 10,000 mg/kg, considered potentially dangerous at higher concentrations. Class 4 has 21 compounds with \begin{table}
\begin{tabular}{c l c c} \hline
**Compound** & **Name** & **Predicted Binding Energy [kcal/mol]** & **Con.Surf [Å2]** \\ \hline
**12** & (3\(\beta\),5x,22E)-Ergosta-7,22,24(28)-trien-3-ol & \(-11.92\) & 455.67 \\
**23** & Eburricoic acid & \(-11.91\) & 467.92 \\
**32** & Erogsterol peroxide & \(-11.87\) & 465.10 \\
**168** & 3-Oxo-24-methyl-5x-lanost-8,25-dien-21-oic acid & \(-11.86\) & 476.27 \\
**171** & 22E-5a-Ergost-7,9(11),22-trien-3\(\beta\)-ol & \(-11.84\) & 466.39 \\
**154** & 3,11-Dioxolanosta-8,24(Z)-diene-26-oic acid & \(-11.81\) & 444.14 \\
**194** & Ganderic Acid T & \(-11.74\) & 587.44 \\
**124** & Accel-3-oxo-sulfureric acid (64) & \(-11.74\) & 512.85 \\
**17** & 5x,6a-Epoxy-24(R)-methylcholesta-7,22-dien-3\(\beta\)-ol & \(-11.73\) & 437.11 \\
**190** & Ganderic Acid H & \(-11.66\) & 503.58 \\
**112** & Officialonic acids E & \(-11.66\) & 550.17 \\
**48** & Colossolactone H (Colo H) & \(-11.64\) & 469.63 \\
**178** & Ergrosta-4,6,8(14),22-tetraen-3-one & \(-11.59\) & 367.21 \\
**114** & Officialonic acids G & \(-11.52\) & 562.15 \\
**193** & Ganderic Acid Y & \(-11.49\) & 459.87 \\
**20** & 5x,6a-Epoxyergosta-8(14)-ene-3\(\beta\),7\(\alpha\)-diol & \(-11.48\) & 455.29 \\
**139** & Inonotsuoxides A & \(-11.48\) & 438.71 \\
**181** & Cerevisterol & \(-11.46\) & 441.80 \\
**13** & 24-Ethylcholesta-5,22-dien-3\(\beta\)-ol & \(-11.33\) & 390.82 \\
**28** & Estelasterol & \(-11.31\) & 408.88 \\
**191** & Ganderic Acid W & \(-11.30\) & 533.11 \\
**19** & 5x,8a-Epidioxy-24(R)-methylcholesta-6,22-dien-\(\beta\)-ol & \(-11.29\) & 426.07 \\
**195** & Polyporencic acid C & \(-11.28\) & 472.30 \\
**182** & Lucidumol A & \(-11.26\) & 507.86 \\
**144** & Chagabusone A & \(-11.23\) & 466.75 \\
**34** & Polypurstorene A & \(-11.22\) & 466.28 \\
**45** & Aurisin A & \(-11.18\) & 429.27 \\
**126** & Inonotusol B & \(-11.14\) & 443.88 \\
**6** & (22E)-6\(\beta\)-Methoxyergosta-7,22-diene-3\(\beta\),5\(\alpha\)-diol & \(-11.11\) & 463.33 \\
**132** & Spiroinonotsuoxodiol & \(-11.06\) & 469.46 \\
**192** & Ganderic Acid X & \(-11.04\) & 492.63 \\
**27** & Eringiacetal A & \(-11.00\) & 388.48 \\
**189** & Ganderic acid F & \(-11.00\) & 481.37 \\
**110** & Officialonic acids C & \(-10.99\) & 554.09 \\
**118** & Lanostanoid 1 (58) & \(-10.95\) & 472.98 \\
**133** & Inonotsudiol A & \(-10.95\) & 455.79 \\
**26** & Anticin K & \(-10.93\) & 496.48 \\
**140** & Inonotsuoxides B & \(-10.92\) & 426.16 \\
**102** & Piptolinic acid E & \(-10.92\) & 487.53 \\
**8** & (22E)-3\(\beta\),5\(\alpha\),9\(\alpha\)-Trihydroxyergosta-7,22-dien-6-one & \(-10.91\) & 410.35 \\
**18** & 5x,8a-Epidioxy-24(R)-methylcholesta-6,22-dien-3\(\beta\)-D-glucopyranoside & \(-10.88\) & 554.78 \\
**130** & Inonotol F & \(-10.87\) & 451.37 \\
**113** & Officialonic acids F & \(-10.87\) & 549.20 \\
**11** & (22E)-Ergosta-7,22-dien-3\(\beta\)-ol & \(-10.86\) & 425.94 \\
**119** & Lanostanoid 2 & \(-10.85\) & 502.87 \\
**134** & Inonotsuoxodiol A & \(-10.79\) & 478.10 \\
**22** & Dehydrobeburricoic acid & \(-10.79\) & 480.87 \\
**Control** & Tariquidar & \(-10.78\) & 633.80 \\ \hline \end{tabular} Only the compounds with the best classification are shown in this table. Complete table available in Supplementary Materials.  
\end{table} 
Table 1: _Cont._a predicted LD\({}_{50}\) between 500 and 5000 mg/kg, which are considered possibly harmful. Nine substances in class 3 are considered dangerous and have a predicted LD\({}_{50}\) value between 50 mg/kg and 500 mg/kg.