Machine learning
AssigneeThe University Court of the University of Glasgow
InventorLeroy CRONIN
Life of this patent
Estimating the term…
Abstract
The present invention provides a method to generate a predictive model for a reaction set, which reaction set is the sum of the reaction outcomes for a plurality of chemical inputs. Also provided is a system for generating a predictive model for a reaction set, which system may be used in the method. The system comprises a synthesiser for conducting reactions, which synthesiser is an automated synthesiser, an analytical unit for monitoring reactions performed by the synthesiser, and a control unit suitably programmed with a machine learning algorithm, for analysing analytical data from the analytical unit, and for controlling the synthesiser.
Claims14
A method to generate a predictive model for a reaction set, which reaction set is the sum of the reaction outcomes for a plurality of chemical inputs, optionally together with physical inputs, the method comprises the steps of:
- (i) providing a system comprising a synthesiser for conducting reactions, which synthesiser is an automated synthesiser, an analytical unit for monitoring reactions performed by the synthesiser, and a control unit suitably programmed with a machine learning algorithm, for analysing analytical data from the analytical unit, and for controlling the synthesiser
- (ii) making available to the synthesiser chemical inputs, optionally together with physical inputs;
- (iii) permitting the synthesiser to perform a series of reactions using the available chemical inputs, optionally together with physical inputs, wherein the series is a subset of all the possible reactions for the combinations of the available chemical inputs, optionally together with physical inputs;
- (iv) permitting the analytical unit to analyse each reaction, and allowing the analytical unit to transmit analytical data to the control unit;
- (v) allowing the control unit to consider the analytical data to determine a reaction outcome for each reaction, and considering the reaction outcomes in association with the chemical inputs, optionally together with the physical inputs, for each reaction;
- and
- (vi) developing a predictive model using the machine learning algorithm for the reaction set from the subset of reactions.
A method for generating a predictive model for a reaction set, which reaction set is the sum of the reaction outcomes for a plurality of chemical inputs, optionally together with physical inputs, the method comprising the steps of:
- (i) obtaining the reaction outcomes for a series of reactions, which series is a subset of the all the possible reaction outcomes for the reaction set;
- (ii) considering the reaction outcomes in association with the chemical inputs, optionally together with the physical inputs, for each reaction;
- and
- (iii) developing a predictive model for the reaction set from the reaction outcomes for the subset.
A system for generating a predictive model for a reaction set, the system comprising a synthesiser for conducting reactions, which synthesiser is an automated synthesiser, an analytical unit for monitoring reactions performed by the synthesiser, and a control unit suitably programmed with a machine learning algorithm, for analysing analytical data from the analytical unit, and for controlling the synthesiser.
Dependencies are inferred from the claim text.