scbirlab/thomas-2018-spark-wt

SPARK数据集：一个包含人工审核和标准化最小抑菌浓度（MICs）测量值的数据集，专注于具有野生型积累表型的细菌。数据集包括化合物的SMILES字符串、分子量、拓扑极性表面积等特征，并根据不同细菌种类划分为多个子集，适用于抗生素药物发现领域的化学模型开发。

SPARK dataset: A collection of human-curated and standardized Minimum Inhibitory Concentrations (MICs) focused on bacteria with wild-type accumulator phenotypes. The dataset includes features such as SMILES strings, molecular weight, and topological polar surface area, and is divided into subsets by different bacterial species, suitable for developing chemistry models in the field of antibiotic drug discovery.