Anew method for assessing the structural similarity of pharmacologically active substances based on a hierarchical description of the chemical structure by QL-language descriptors with varying degrees of complexity was developed. The proposed QL-similarity coefficient was shown to enable recognition of structurally similar compounds. An in silico search for Maillard reaction inhibitors among new adamantane derivatives was carried out by the method of similarity to standards using the IT Microcosm software complex. Two compounds with greater activity than the reference compound (aminoguanidine) and seven compounds with comparable activity were found in in vitro experiments.

中文翻译：

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药理活性化合物结构相似性的分级评估

开发了一种评估药理活性物质结构相似性的新方法，该方法基于具有不同复杂程度的 QL 语言描述符对化学结构的分层描述。所提出的 QL 相似系数表明能够识别结构相似的化合物。使用 IT Microcosm 软件复合体通过与标准相似的方法在新的金刚烷衍生物中对美拉德反应抑制剂进行了计算机模拟搜索。在体外实验中发现了两种活性高于参考化合物（氨基胍）的化合物和七种活性相当的化合物。