Chats and Dialog Examples

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Copolymer Fingerprints

Design of styrene-butadiene copolymers using the TransPolymer AI model. Three successful predictions for different monomer ratios. Computation times of ~40ms each! See real-time polymer structure predictions

Polymer Knowledge Graph

Build a semantic knowledge graph of polymer materials with WORLD platform. Created database with polyethylene, polypropylene, polycarbonate entities linked to PolyNC prediction model. Demonstrates thing creation, relations, and TTL export.

Batch Polymer Embedding Analysis

Batch analysis of 10 common polymers using TransPolymer AI to calculate pairwise similarities. Identified PET and Polycarbonate as most similar (98.5%) and exported embeddings for later ML tasks. See batch polymer similarity analysis

Glass Transition Prediction

Predict glass transition temperatures (Tg) for polymers using the PolyNC neural network model. Example for polyethylene (-82.15°C) and bisphenol-A type polymers (167.85°C) with computation times of ~300-1500ms. See real-time Tg predictions from SMILES

Comparing Polymer Structures with AI

Compare using TransPolymer and PolyNC AI models. Generated 768-dimensional chemical fingerprints for PE, PS, and PMMA with computation times of ~20ms each. Real embedding values show clear structural differences: aromatic character (PS vs PE differs by 0.718 in dimension 1), polar groups (PMMA=-0.500 vs PE=+0.028 in dimension 3). See chemical character for similarity search and property prediction