Software product for NMR spectrometers

data science in chemistry and medicine
Devices (NMR spectrometer) produces a lot of information that was needed to process separately. Moreover, there was a non transparent mechanism for booking time on devices, which led to an inefficient use of the engine's capacities. It was necessary to optimize the time of the device and propose a mechanism for automatic mass data processing.
We`ve developed the monitoring system for device usage (NMR spectrometer). This system provides distribution of users over time, the formation of queues, taking into account optimal load of a device. Also, we provide processing of the received data (spectra), clearing it from noise, graphics smoothing, Fourier transformation for spectra.
Project status: 
Science, Manufacture

A decryption system signals spectra based on Machine Learning (ML) was used to increase the speed to obtain data from the spectra and to drain the success /failure of the experiments.

As a training sample, we used the database of compounds and their spectra from the archives of the company.
The data was gathered from a range of devices provided by manufacturer protocol.
Collecting database on a specially developed software and taking all the calculation, analyzing and processing data on a server side.