The BenzAI program can automatically generate benzenoids with defined structural constraints, like the number of hexagons, the number of carbon and/or hydrogen atoms, the existence of symmetries, the number of Kekulé structures, their diameter, or more elaborate criteria like their irregularity. BenzAI allows both automatic generation and manual building of benzenoids including or excluding defined patterns. For all benzenoids with less than 10 rings, it can extract IR spectra from a database that we generated. It computes local aromaticity for closed-shell and monoradical species using circuit-based algorithms. We present practical examples of what can be done with BenzAI for a diversity of cases.

中文翻译：

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BenzAI：使用约束编程设计具有定义属性的 Benzenoids 的程序

BenzAI 程序可以自动生成具有定义结构约束的苯类，例如六边形的数量、碳和/或氢原子的数量、对称性的存在、Kekulé 结构的数量、它们的直径，或者更复杂的标准，比如它们的不规则性。BenzAI 允许自动生成和手动构建 benzenoids，包括或排除定义的模式。对于所有环数少于 10 的苯类，它可以从我们生成的数据库中提取红外光谱。它使用基于电路的算法计算闭壳和单自由基物种的局部芳香性。我们提供了实际示例，说明 BenzAI 可以为各种案例做些什么。