Crate nexcore_compound_registry 

nexcore-compound-registry

Compound resolution library with PubChem/ChEMBL REST clients and local SQLite cache.

Pipeline

resolve(name)
  ├─ Layer 1: SQLite cache    (instant, no network)
  ├─ Layer 2: PubChem API     (structure, identifiers)
  └─ Layer 3: ChEMBL API      (bioactivity enrichment)

Quick Start

use nexcore_compound_registry::CacheStore;

// Open in-memory cache (returns RegistryResult)
let store = CacheStore::new_in_memory();
assert!(store.is_ok());

Tier: T3 (σ + → + π + μ + ∃)

Sequence (σ) of causal (→) resolution steps that persist (π) mapped (μ) existing (∃) compounds.

Re-exports

pub use cache::CacheStore;

pub use error::RegistryError;

pub use error::RegistryResult;

pub use resolver::resolve;

pub use resolver::resolve_batch;

pub use types::CompoundRecord;

pub use types::ResolutionSource;

Modules

cache

Local SQLite cache for compound records.

chembl

ChEMBL REST API client.

error

Error types for compound registry operations.

pubchem

PubChem PUG REST API client.

resolver

Layered compound resolution pipeline.

types

Core types for compound resolution.