jiosephlee/chembl-endpoint-pair-clean-labels

该数据集包含来自clean ChEMBL端点对记录的渲染问题/答案示例。答案来源于清洗后的聚合标签：连续端点使用中位数pChEMBL值，二元端点使用精确白名单0/1标签。数据集用于化学分子端点对预测任务，涉及药物活性数据，源自ChEMBL 36数据库，并经过严格的清洗和采样处理，包括端点定义、冲突标签过滤和分层采样。This dataset contains rendered question/answer examples from clean ChEMBL endpoint pair records. Answers are sourced from clean aggregated labels: median pChEMBL for continuous endpoints and exact-whitelist 0/1 labels for binary endpoints.