tutorials_ver3
Thu Feb 13 2025 22:08:04 GMT+0000 (Coordinated Universal Time)
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<section>
<h2>Chemical Data Entry</h2>
<p>Chemical data can be provided in one of three ways:</p>
<ul>
<li>Full SMILES notation of the substance</li>
<li>in-silico Polymer Synthesis from Monomer Units</li>
<li>IR Data Entry</li>
</ul>
<img src="images/image 7.png" alt="Chemical Data Entry" class="img-center" style="max-width:90%;">
</section>
<section>
<h2>AI Engines</h2>
<p>Our intelligent engine selection system helps you choose the perfect AI model for your specific needs. Follow the flowchart below to identify the most suitable engine for your material:</p>
<div class="mermaid">
graph LR
SM[Small Molecule] --> Q1{Molecular Weight?}
Poly[Polymer] --> Q2{Known Degree of Polymerization?}
Q1 -->|MW ≤ 1000| Former[Aropha Former]
Q1 -->|MW ≥ 1000| Grapher[ArophaGrapher]
Q2 -->|No, or DP ≤ 100| Former
Q2 -->|Yes, DP ≤ 2000| Grapher
Q2 -->|Custom| ArophaPolyformer[ArophaPolyformer]
classDef default fill:#ffffff,stroke:#222a35,stroke-width:2px,color:#222a35
classDef decision fill:#222a35,stroke:#66ccff,stroke-width:2px,color:#ffffff
class SM,Poly,Former,Grapher,ArophaPolyformer default
class Q1,Q2 decision
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<h3>Engine Specifications</h3>
<table>
<thead>
<tr>
<th>AI Engine</th>
<th>Chemical Space</th>
<th>Degree of Polymerization</th>
<th>Suggested MW for small molecules</th>
</tr>
</thead>
<tbody>
<tr>
<td>Aropha Former</td>
<td>Small Molecule + Macromolecular Polymer</td>
<td>≤ 100</td>
<td>≤ 1000</td>
</tr>
<tr>
<td>ArophaGrapher</td>
<td>Small Molecule + Macromolecular Polymer</td>
<td>≤ 2000</td>
<td>≥ 1000</td>
</tr>
<tr>
<td>ArophaPolyformer</td>
<td>Macromolecular Polymer</td>
<td>Custom</td>
<td>N/A</td>
</tr>
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<section>
<h2>Material Morphology</h2>
<p>
We consider the impact of material morphology. Please select the shape type that best matches your material from our list and provide the relevant parameters.
</p>
<img src="images/image 5.png" alt="Material Morphology" class="img-center" style="max-width:70%;">
</section>
<section>
<h2>Method</h2>
<p>
You can choose from 60 standard methods for your experiment or design a customized method tailored to specific environmental conditions.
</p>
<img src="images/image 6.png" alt="Method" class="img-center" style="max-width:70%;">
</section>
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