scbirlab/cyc-pep-6-12mer-70M-2024

该数据集名为Cyclic peptides (70 million)，包含约7000万个独特的环状和线性肽，每个肽包含6到12个氨基酸，并附有一些计算得出的分子属性。数据集由Eachan Johnson策划，由The Francis Crick Institute资助，采用MIT许可证。数据集的结构包括线性肽的标识符、氨基酸序列、SMILES字符串、环状肽的标识符、环状肽的InChIKey、环状肽的SMILES字符串、环状肽的Murcko骨架、分子量、Crippen LogP和拓扑极性表面积。数据集使用schemist工具生成，该工具用于处理化学数据集。

The dataset, named Cyclic peptides (70 million), contains approximately 70 million unique cyclic and linear peptides comprising 6-12 amino acids, each with some calculated molecular properties. It was curated by Eachan Johnson, funded by The Francis Crick Institute, and is licensed under MIT. The dataset structure includes identifiers for linear peptides, amino acid sequences, SMILES strings, identifiers for cyclic peptides, InChIKeys for cyclic peptides, SMILES strings for cyclic peptides, Murcko scaffolds for cyclic peptides, molecular weights, Crippen LogP, and topological polar surface areas. The dataset was generated using schemist, a tool for processing chemical datasets.