Free and open source software for analyzing structure-property relationships.
If you're in the market for an efficient program that can help you assess topological and structural descriptors of chemical structures, then SPAS is the software that you need. This program offers a simple and user-friendly interface, making it easy to understand and navigate for all types of users.
With SPAS, you'll be able to evaluate descriptors of chemical structures that can be used as parameters in a linear correlation with user-defined experimental properties. This is done using a linear least squares optimization, which offers excellent accuracy in predicting experimental properties.
The program allows you to choose the most significant variables through manual or automatic selection – trying all possible combinations to ensure that you get the best results. This feature is especially useful for those who are dealing with complex chemical structures and need to narrow down the parameters to optimize their results.
Overall, SPAS is a great tool for anyone who needs to evaluate topological and structural descriptors of chemical structures. Its simple interface and accurate results make it an ideal choice for chemists, scientists, and students alike. Whether you're working on a research project or simply need to analyze chemical structures for educational purposes, SPAS is the perfect solution.
With SPAS, you'll be able to evaluate descriptors of chemical structures that can be used as parameters in a linear correlation with user-defined experimental properties. This is done using a linear least squares optimization, which offers excellent accuracy in predicting experimental properties.
The program allows you to choose the most significant variables through manual or automatic selection – trying all possible combinations to ensure that you get the best results. This feature is especially useful for those who are dealing with complex chemical structures and need to narrow down the parameters to optimize their results.
Overall, SPAS is a great tool for anyone who needs to evaluate topological and structural descriptors of chemical structures. Its simple interface and accurate results make it an ideal choice for chemists, scientists, and students alike. Whether you're working on a research project or simply need to analyze chemical structures for educational purposes, SPAS is the perfect solution.
What's New
Version 0.84: N/A