Molecular Knowledge Systems: Physical Property Estimation and Chemical Product Design
We are a leading provider of computer software and consulting services for physical property estimation and chemical product design. Please see below for information on Cranium, our physical property estimation software, Synapse, our chemical product design software, and our consulting services. Please click here for more information on our company. (Click here for information in Japanese.)
See our Library page for online tools for property estimation, chemical product design, azeotrope screening, and more.
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Cranium can estimate more than 30 physical properties. Simply draw your molecule's structure or enter your mixture's composition and Cranium will provide rapid and accurate estimates.
To generate these estimates, Cranium uses a variety of artificial intelligence (AI) techniques including molecular structure pattern matching, rule-based decision making, and machine learning.
You can also easily add your own data, chemical structures, mixture formulations, and even your own estimation techniques using MKS's modeling language. Physical property values can be exported to most major process simulation software programs.
Cranium's Basic Edition is freely available for download and evaluation. Please view our Cranium introductory video.
Synapse can design new molecular structures and new mixture formulations. Simply enter constraints on physical properties, chemical composition, and molecular structure and Synapse will generate screen tens of thousands of candidate products finding those that satisify your constraints.
To design new chemical products, Synapse uses a variety of artifical intelligence (AI) techniques including molecular structure pattern matching, rule-based decision making, generative structure and formulation enumation, machine learning, and a beam search algorithm for structure display. Our MKS modeling language enables you easily create customized property and structural constraints.
automatically constructs new chemicals and formulations, predicts their macroscopic physical properties, and screens these properties against a set of design constraints. A demonstration version is available for download. (View the video for details.)
Synapse's Basic Edition is freely available for download and evaluation. Please view our Synapse introductory video.
Molecular Knowledge Systems is proud to be recognized as a NineSigma Solution Provider. We have won multiple contracts through our participation in NineSigma including projects for: