Method and system for planning, performing, and assessing high-throughput screening of multicomponent chemical compositions and solid forms of compounds
OwnerDouglas Levinson, Christopher McNulty +1inventors
InventorsDouglas Levinson, Christopher McNulty, Christopher Moore
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Abstract
A method and system for planning and assessing the results of high-throughput solid form screening and high-throughput formulation screening are disclosed. Also disclosed are methods and systems for using high-throughput solid form screening and high-throughput formulation screening to select compounds and formulations for further testing, or to prioritize testing.
Claims117
A method for determining a formulation of a pharmaceutical, comprising the steps of:
- performing high-throughput formulation screening of the pharmaceutical;
- computing an optimization algorithm to select a plurality of molecular descriptors and a model accepting the molecular descriptors as parameters to optimize the predictive power of the model;
- determining the formulation of the pharmaceutical.
A method for generating a plurality of solid forms of a pharmaceutical, comprising the steps of:
- performing high-throughput solid-form screening of the pharmaceutical;
- computing an optimization algorithm to select a plurality of molecular descriptors and a model accepting the molecular descriptors as parameters to optimize the predictive power of the model;
- determining the formulation of the pharmaceutical.
A method for selecting a compound for further testing, comprising the steps of:
- receiving information of a plurality of compounds;
- performing high-throughput solid-form screening of at least one of the plurality of compounds to identify at least one solid-form;
- based on the at least one property of each identified solid-form, selecting at least one of the plurality of compounds for further testing.
A method for selecting a compound for further testing, comprising the steps of:
- receiving information of a plurality of compounds;
- performing high-throughput formulation screening on at least one of the plurality of compounds;
- based on at least one tested property, selecting at least one of the plurality of compounds for further testing.
A method for selecting a solid form of a compound for further testing, comprising the steps of:
- receiving information of a compound;
- performing high-throughput solid-form screening to identify at least two solid forms of the compound;
- based on the results of the high-throughput solid-form screening, selecting a solid form of the compound for further testing.
A method for selecting a formulation of a compound for further testing, comprising the steps of:
- receiving information of a compound;
- performing high-throughput formulation screening of the compound;
- based on the results of the high-throughput formulation screening, selecting a formulation of the compound for further testing.
A method for determining whether to further test at least one compound, comprising the steps of:
- receiving information of the at least one compound;
- performing high-throughput formulation screening of the at least one compound;
- based on at least one tested property, determining whether to further test the at least one compound.
A method for determining whether to further test at least one compound, comprising the steps of:
- receiving information of the at least one compound;
- performing high-throughput solid-form screening of the at least one compound;
- based on at least one tested property, determining whether to further test the at least one compound.
A method for selecting a compound for priority testing, comprising the steps of:
- receiving information of a plurality of compounds;
- performing high-throughput solid-form screening of at least one of the plurality of compounds to identify at least one solid-form;
- based on the at least one property of each identified solid-form, selecting at least one of the plurality of compounds for further testing.
A method for selecting a compound for priority testing, comprising the steps of:
- receiving information of a plurality of compounds;
- performing high-throughput formulation screening on at least one of the plurality of compounds;
- based on at least one tested property, selecting at least one of the plurality of compounds for further testing.
A method for selecting a solid form of a compound for priority testing, comprising the steps of:
- receiving information of a compound;
- performing high-throughput solid-form screening to identify at least two solid forms of the compound;
- based on the results of the high-throughput solid-form screening, selecting a solid form of the compound for further testing.
A method for selecting a formulation of a compound for priority testing, comprising the steps of:
- receiving information of a compound;
- performing high-throughput formulation screening of the compound;
- based on the results of the high-throughput formulation screening, selecting a formulation of the compound for further testing.
A method for determining whether to priority test at least one compound, comprising the steps of:
- receiving information of the at least one compound;
- performing high-throughput formulation screening of the at least one compound;
- based on at least one tested property, determining whether to further test the at least one compound.
A method for determining whether to priority test at least one compound, comprising the steps of:
- receiving information of the at least one compound;
- performing high-throughput solid-form screening of the at least one compound;
- based on at least one tested property, determining whether to further test the at least one compound.
A method for selecting a solid form of a compound for further testing, comprising the steps of:
- receiving information of a compound;
- performing high-throughput formulation screening to identify at least two solid forms of the compound;
- based on the results of the high-throughput formulation screening, selecting a solid form of the compound for further testing.
Dependencies are inferred from the claim text.