The increasing need to understand and control the environmental impact of chemical processes has revealed the challenge in efficient evaluation of toxicity of the vast number of chemical compounds and their varying effects on biological systems. In this study, we introduce “Build-a-bio-Strip”, a novel online service designed to carry out a quick initial analysis of the toxic impact of chemical processes. This platform enables users to automatically generate toxicity characteristics of chemical reactions using their own data on cytotoxicity or median lethal doses of the substances involved or computational predictions based on SMILES strings. The service calculates the toxicity metrics such as bio-Factors and cytotoxicity potentials, which can be used to identify the substances with significant contributions to the overall toxicity of a particular process. This facilitates the selection of safer synthetic routes and the optimization of chemical processes from a toxicity perspective. “Build-a-bio-Strip” represents a step toward safer and more sustainable chemical practices. It is available free-of-charge at http://app.ananikovlab.ai:8080/.

中文翻译：

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Build-a-Bio-Strip：用于化学合成中快速毒性评估的在线平台


对了解和控制化学过程对环境影响的需求日益增加，这揭示了有效评估大量化合物的毒性及其对生物系统的不同影响的挑战。在这项研究中，我们介绍了“Build-a-bio-Strip”，这是一种新颖的在线服务，旨在对化学过程的毒性影响进行快速初步分析。该平台使用户能够使用自己的有关所涉及物质的细胞毒性或中位致死剂量的数据或基于 SMILES 字符串的计算预测来自动生成化学反应的毒性特征。该服务计算毒性指标，例如生物因子和潜在细胞毒性，这些指标可用于识别对特定过程的整体毒性有重大贡献的物质。这有助于选择更安全的合成路线，并从毒性角度优化化学过程。“Build-a-bio-Strip”代表着朝着更安全、更可持续的化学实践迈出的一步。它可在 http://app.ananikovlab.ai:8080/ 免费获得。