SYSTEMS AND METHODS FOR ASSOCIATING COMPOUNDS WITH PROPERTIES USING CLIQUE ANALYSIS OF CELL-BASED DATA

    公开(公告)号:US20220399084A1

    公开(公告)日:2022-12-15

    申请号:US17841536

    申请日:2022-06-15

    Abstract: Methods of associating a test compound with a compound property. One or more datasets including: for each of a plurality of cell lines and each of a plurality of compounds: for each respective exposure condition: a corresponding response signature for the respective compound in the respective cell line under the respective exposure condition is obtained. A correlation is determined for each unique combination of exposure conditions for a respective pair of compounds based on the corresponding response signature. A weight is determined for each respective pair of compounds based on the determined correlations. A plurality of compound clusters is formed, where each cluster represents compounds that satisfy one or more weight criteria with respect to a particular compound. A compound property of the test compound is determined from properties of one or more compounds in a one or more compound clusters that contain the test compound.

    SYSTEMS AND METHODS FOR ASSOCIATING COMPOUNDS WITH PHYSIOLOGICAL CONDITIONS USING FINGERPRINT ANALYSIS

    公开(公告)号:US20220403335A1

    公开(公告)日:2022-12-22

    申请号:US17841543

    申请日:2022-06-15

    Abstract: Systems and methods for associating a compound with physiological conditions are provided. A fingerprint of a compound chemical structure is obtained and inputted to a model that outputs one or more calculated activation scores. Each activation score represents a cellular constituent module in a set of modules, where each module includes a subset of cellular constituents and a first module in the set of modules is associated with the physiological condition. When the activation score for the first module satisfies a threshold criterion, the compound is identified as associated with the physiological condition. In some aspects, each activation score represents a perturbation signature associated with the physiological condition and the compound is identified when the activation score for a first perturbation signature satisfies a threshold criterion. Systems and methods for training a model that associates compounds with physiological conditions are also provided.

    SYSTEMS AND METHODS FOR TERRAFORMING

    公开(公告)号:US20220399129A1

    公开(公告)日:2022-12-15

    申请号:US17841516

    申请日:2022-06-15

    Abstract: Systems and methods for associating cellular constituents with a cellular process of interest are provided. Constituent vectors comprising abundances for a first plurality of cells representing annotated cell states are formed and used to obtain a latent representation of constituent modules having subsets of constituents. A constituent count data structure comprising abundances of the constituents for a second plurality of cells representing covariates of interest is obtained. An activation data structure is formed by combining the latent representation and the constituent count data structure, using constituents as a common dimension. A model is trained using a difference between the predicted and actual absence or presence of each covariate in each cellular constituent module represented in the activation data structure, thus adjusting covariate weights indicating a correlation between covariates and constituent modules across the activation data structure. The covariate weights are used to identify constituent modules associated with covariates of interest.

    SYSTEMS AND METHODS FOR ASSOCIATING COMPOUNDS WITH PHYSIOLOGICAL CONDITIONS USING FINGERPRINT ANALYSIS

    公开(公告)号:US20250059511A1

    公开(公告)日:2025-02-20

    申请号:US18757236

    申请日:2024-06-27

    Abstract: Systems and methods for associating a compound with physiological conditions are provided. A fingerprint of a compound chemical structure is obtained and inputted to a model that outputs one or more calculated activation scores. Each activation score represents a cellular constituent module in a set of modules, where each module includes a subset of cellular constituents and a first module in the set of modules is associated with the physiological condition. When the activation score for the first module satisfies a threshold criterion, the compound is identified as associated with the physiological condition. In some aspects, each activation score represents a perturbation signature associated with the physiological condition and the compound is identified when the activation score for a first perturbation signature satisfies a threshold criterion. Systems and methods for training a model that associates compounds with physiological conditions are also provided.

    SYSTEMS AND METHODS FOR ASSOCIATING COMPOUNDS WITH PROPERTIES USING CLIQUE ANALYSIS OF CELL-BASED DATA

    公开(公告)号:US20240242786A1

    公开(公告)日:2024-07-18

    申请号:US18617486

    申请日:2024-03-26

    CPC classification number: G16C20/30

    Abstract: Methods of associating a test compound with a compound property. One or more datasets including: for each of a plurality of cell lines and each of a plurality of compounds: for each respective exposure condition: a corresponding response signature for the respective compound in the respective cell line under the respective exposure condition is obtained. A correlation is determined for each unique combination of exposure conditions for a respective pair of compounds based on the corresponding response signature. A weight is determined for each respective pair of compounds based on the determined correlations. A plurality of compound clusters is formed, where each cluster represents compounds that satisfy one or more weight criteria with respect to a particular compound. A compound property of the test compound is determined from properties of one or more compounds in a one or more compound clusters that contain the test compound.

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