first digital molecular representation of PAMAM Dendrimer(G2–G3)–Lac-CD conjugates

This dataset provides digital molecular representations (SMILES format) of PAMAM dendrimer conjugates with lactose and cyclodextrins (α-, β-, γ-). Each structure represents a G2 or G3 PAMAM dendrimer conjugated with different types and ratios of lactose and cyclodextrin molecules. The data aim to support computational modeling, visualization, and structure–property studies of functionalized dendrimers.<br>

本数据集提供了以聚酰胺-胺树枝状大分子（PAMAM dendrimer）为骨架，分别与乳糖及α-、β-、γ-型环糊精缀合的数字分子表征数据，采用SMILES格式。每个表征结构均对应G2代或G3代聚酰胺-胺树枝状大分子，且其缀合有不同类型、不同配比的乳糖与环糊精分子。本数据集旨在为功能化树枝状大分子的计算建模、可视化以及结构-性能研究提供支撑。