Structure optimization of new pesticide candidate compounds for agriculture using 'Gaussian'
Computational chemistry techniques that support molecular design in pesticide development.
In pesticide development, molecular design that considers the effects on target organisms and the impact on non-target organisms is required. In particular, detailed analysis at the molecular level is essential to predict the activity and toxicity of compounds and to develop safe and effective pesticides. The chemical calculation software "Gaussian" provides cutting-edge electronic state calculations and computational chemistry models to address these complex challenges in pesticide development and supports research and development. 【Application Scenarios】 - Structural optimization of new pesticide candidate compounds - Prediction of compound reactivity and stability - Interaction analysis with target proteins - Molecular property predictions for toxicity assessment 【Benefits of Implementation】 - Narrowing down candidate compounds in the early stages of development - Reduction in the number of experiments and shortening of the development period - Development of safer and more effective pesticides
- Company：ヒューリンクス
- Price：Other
