Sign in to view source links and access this dataset
Description
SynthonBench provides frozen tasks, score tables, and synthon spaces for evaluating search methods in combinatorial chemistry. The benchmark, created by mireklzicar, scores methods fairly against a fixed oracle-call budget without enumerating full product libraries. The dataset page was last updated on 2026-06-28.
Use Cases
Benchmarking search algorithms based on frozen score tables and synthon spaces.
Evaluating budgeted search methods for reaction-component tuple proposals.
Comparing performance of different approaches on shared warm-start seeds.
Reproducibly scoring methods against a top-k metric for chemical space exploration.
Strengths
Provides frozen tasks and score tables for reproducible benchmarking.
Includes shared warm-start seeds to ensure fair method comparison.
Designed for a fixed oracle-call budget, reflecting realistic computational constraints.
Limitations
Description metadata is limited; actual data quality requires manual inspection after download.
Column-level documentation is absent; field semantics must be inferred after download.
Row count is unknown, which may limit suitability assessment.
Provenance
Source
huggingface
Collection Method
Likely compiled for benchmarking chemical search methods.
Freshness
Last updated 2026-06-28 21:22:22; freshness should be verified.
License is unknown; users should verify terms before use.