insilicomedicine/chemcensor

ChemCensor Database This repository provides the SQLite databases used by ChemCensor, a precedent-based framework for evaluating reaction chemical plausibility. ChemCensor separates the reaction center (what changes) from the functional-group context (what must be tolerated), then checks whether similar patterns are supported by documented synthetic precedents. The resulting score ranges from 0 to 5, where higher values indicate stronger precedent support.… See the full description on the dataset page: https://huggingface.co/datasets/insilicomedicine/chemcensor.

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