Representation

• Polymer representation: BigSMILES, repeat units and stochastic structure
• Property datasets, their sparsity and measurement inconsistency
• Featurisation choices that dominate performance on small datasets

Generation

• Variational and diffusion approaches to molecular and polymer generation
• Conditioning generation on target properties
• Synthesisability filtering so candidates are not chemically fictional

Assessment

• LCA framing under ISO 14040 and 14044: goal, scope and functional unit
• Inventory data sources and the uncertainty they carry
• Biodegradability claims, standards and the difference between compostable and degradable

Integration

• Coupling property prediction with impact estimates in one objective
• Trade-offs between performance, end-of-life behaviour and cost
• Communicating results without overstating environmental benefit