BRICS-based combinatorial synthesis libraries
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Datasets used in the paper "APEX: Approximate-but-exhaustive search for ultra-large combinatorial synthesis libraries," structured as follows: brics_csl/├── brics_csl_10B/│ ├── reactions.parquet│ └── synthons.parquet├── brics_csl_12M/│ ├── enumerated_and_scored.parquet│ ├── reactions.parquet│ └── synthons.parquet└── brics_csl_1M/ ├── enumerated_and_scored.parquet ├── reactions.parquet └── synthons.parquet
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Zenodo创建时间：
2025-10-28
