化学反应机理不仅揭示物质转化的内在规律，也为高效催化剂设计、绿色合成路径开发等工业应用提供关键依据。而要解析反应机理，离不开一项关键的 计算技术——反应路径搜索，即通过在势能面（PES）上定位局部极小值与反应中间体，帮助人们描绘出反应的真实路径。 长期以来，计算化学家主要依赖内禀反应坐标（IRC）方法，通过生成有限构型来探索反应机理。然而，这种传统做法存在明显局限，往往受研究者预设 路径的约束，容易遗漏非常规的反应通道，从而可能错过潜在的替代机理。 随着人工力诱导反应（AFIR）等自动化方法的发展，无偏见的反应路径搜索成为可能。这类方法将反应路径视为由「节点」连接而成的网络，通过迭代 生成新构型，对反应可能性进行系统性探索，从而为发现未知反应机理打开了新窗口。 然而，自动化路径搜索并非完美方案。大量构型的能量计算带来了高昂成本，而构象变化对机理研究的必要性，更进一步加剧了计算负担。尽管半经验方 法、机器学习势函数等手段可部分降低成本，但能量预测的偶然失准仍可能影响路径搜索的可靠性。 化学本体论作为一种「知识结构化工具」，为突破上述瓶颈提供了新思路。它通过实体、属性、关系与规则的标准化定义，将零散的化学知识组织 ...

Core Insights - Evogene Ltd. is focusing on computational chemistry and the generative design of small molecules for pharmaceuticals and agriculture, with a strategic emphasis on its AI-driven platform, ChemPass AI [1] Financial Performance - On November 20, 2025, Evogene reported earnings per share of $0.44, exceeding the estimated loss of $0.41 per share [2][5] - The company generated revenue of $312,000, which was below the estimated $650,000, indicating challenges in meeting market expectations [2][5] Valuation Metrics - The price-to-sales ratio is approximately 1.40, indicating that investors are willing to pay $1.40 for every dollar of sales, reflecting confidence in Evogene's potential [3] - The enterprise value to sales ratio stands at about 2.04, showing the company's valuation relative to its sales [3] - The enterprise value to operating cash flow ratio is around -0.78, suggesting difficulties in generating positive cash flow from operations [3] Liquidity and Debt Position - Evogene's debt-to-equity ratio is approximately -3.57, indicating more liabilities than equity [4] - The current ratio is about 1.89, suggesting a relatively healthy liquidity position that allows the company to cover its short-term obligations [4]