ConstruQt is a member of the Qt series of web applications and APIs under development by ChemAlive SA (LLC). The Qt series delivers fully automated hassle-free web access to advanced quantum chemical calculations for small to medium-sized organic molecules. The tools are designed for high throughput applications suited for analysis of large chemical libraries and for extracting trend and statistical data from collections of target compounds. The Qt series aims to displace classical mechanics and rules-based cheminformatics with quantitative predictive analytics based on modern physics and quantum chemistry.
However, users need high potential molecules as a starting point. Thus, ChemAlive and Chem-space have partnered. The Chem-space libraries of synthesizable molecules thus adds a base of molecules from which to request calculations. In this webinar, we will discuss the underlying cheminformatics, quantum physics and software/hardware infrastructure that makes high throughput quantum chemistry possible.
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