ClarusC64/nano-syn-nanoparticle-surface-ligand-decoupling-v0.1
Goal Detect ligand decoupling. This is the failure mode where: Ligand metricsstop predictingfunctional stability and targeting. A batch can look acceptableby ligand density alonewhile zeta potential, size, and bindingdrift into failure. Inputs ligand density zeta potential hydrodynamic diameter aggregation rate in vitro binding efficiency stability window Required outputs ligand_coherence_score decoupling_flag decoupling_type targeting_failure_probability aggregation_risk… See the full description on the dataset page: https://huggingface.co/datasets/ClarusC64/nano-syn-nanoparticle-surface-ligand-decoupling-v0.1.
Goal
Detect ligand decoupling.
This is the failure mode where:
Ligand metrics stop predicting functional stability and targeting.
A batch can look acceptable by ligand density alone while zeta potential, size, and binding drift into failure.
Inputs
- ligand density
- zeta potential
- hydrodynamic diameter
- aggregation rate
- in vitro binding efficiency
- stability window
Required outputs
- ligandcoherencescore
- decoupling_flag
- decoupling_type
- targetingfailureprobability
- aggregation_risk
- restabilization_actions
Decoupling types
- charge-decoupling zeta potential shifts break stability
- binding-decoupling binding collapses despite acceptable ligand counts
- aggregation-decoupling aggregation rises while ligand metrics look stable
- multi-decoupling multiple failure surfaces at once
Use cases
- nanoparticle synthesis QA
- ligand functionalization monitoring
- drug delivery stability checks
- targeted nanoparticle validation
Evaluation
The scorer checks:
- presence of all required outputs
- risks expressed as 0 to 1 floats
- decoupling flag expressed as 0 or 1
- a named decoupling type