SYSTEMS AND METHODS FOR MULTIMODAL GENERATIVE MACHINE LEARNING
First Claim
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1. A computer system comprising a multimodal generative model, the multimodal generative model comprising:
- (a) a first level comprising n network modules, each having a plurality of layers of units; and
(b) a second level comprising m layers of units;
wherein the generative model is trained by inputting it training data comprising at least l different data modalities and wherein at least one data modality comprises chemical compound fingerprints.
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Abstract
In various embodiments, the systems and methods described herein relate to multimodal generative models. The generative models may be trained using machine learning approaches, using training sets comprising chemical compounds and one or more of biological, chemical, genetic, visual, or clinical information of various data modalities that relate to the chemical compounds. Deep learning architectures may be used. In various embodiments, the generative models are used to generate chemical compounds that satisfy multiple desired characteristics of different categories.
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Citations
28 Claims
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1. A computer system comprising a multimodal generative model, the multimodal generative model comprising:
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(a) a first level comprising n network modules, each having a plurality of layers of units; and (b) a second level comprising m layers of units; wherein the generative model is trained by inputting it training data comprising at least l different data modalities and wherein at least one data modality comprises chemical compound fingerprints. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16)
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17. A method for training a generative model, comprising
(a) inputting it training data comprising at least l different data modalities, at least one data modality comprising chemical compound fingerprints; -
wherein the generative model comprises (i) a first level comprising n network modules, each having a plurality of layers of units; and (ii) a second level comprising m layers of units.
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18. A method of generating personalized drug prescription predictions, the method comprising:
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(a) inputting to a generative model a value for genetic information and a fingerprint value for a chemical compound; and (b) generating a value for test results; wherein the generative model comprises (i) a first level comprising n network modules, each having a plurality of layers of units; and (ii) a second level comprising m layers of units; wherein the generative model is trained by inputting it training data comprising at least l different data modalities, at least one data modality comprising chemical compound fingerprints, at least one data modality comprising test results, and at least one data modality comprising genetic information; and
wherein the likelihood of a patient having genetic information of the input value to have the generated test results upon administration of the chemical compound is greater than or equal to a threshold likelihood. - View Dependent Claims (19, 20)
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21. A method of personalized drug discovery, the method comprising:
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(a) inputting to a generative model a test result value and a value for genetic information; and (b) generating a fingerprint value for a chemical compound; wherein the generative model comprises (i) a first level comprising n network modules, each having a plurality of layers of units; and (ii) a second level comprising m layers of units; wherein the generative model is trained by inputting it training data comprising at least l different data modalities, at least one data modality comprising chemical compound fingerprints, at least one data modality comprising test results, and at least one data modality comprising genetic information; and
wherein the likelihood of a patient having genetic information of the input value to have the test results upon administration of the chemical compound is greater than or equal to a threshold likelihood. - View Dependent Claims (22)
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23. A method of identifying patient populations for a drug, the method comprising:
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(a) inputting to a generative model a test result value and a fingerprint value for a chemical compound; and (b) generating a value for genetic information; wherein the generative model comprises (i) a first level comprising n network modules, each having a plurality of layers of units; and (ii) a second level comprising m layers of units; wherein the generative model is trained by inputting it training data comprising at least l different data modalities, at least one data modality comprising chemical compound fingerprints, at least one data modality comprising test results, and at least one data modality comprising genetic information; and
wherein the likelihood of a patient having genetic information of the generated value to have the input test results upon administration of the chemical compound is greater than or equal to a threshold likelihood. - View Dependent Claims (24, 25, 26, 27, 28)
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Specification