Additional file 5: Table S5. The whole list of structural pairs of the identified MMPs and MOA-cliffs for the combined dataset
Additional file 3: Table S2a. A list of molecules from the test set including their DrugBank IDs and...
Additional file 3: Table S2. Importance and P value of top 10 chemical structure descriptors
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 3: Table S3. The whole list of active MMPs for the AR agonist and antagonist dataset...
Additional file 5: Table S4. Data distribution of training set, testing set and external validation ...
Additional file 5: Table S5. Statistical parameter values of models with PCAD and PowD for training ...
Additional file 9: Table S5. Set of 2,426 target-adverse effects associations extracted from the tar...
Additional file 5. Additional MetFrag results and data (Figures S5âS8, Table S4)
<p>An up-to-date version of three MMP-based data sets derived from compounds included in the latest ...
<p>A new and up-to-date version of three MMP-based data sets derived from compounds included in the ...
Additional file 8: Table S7. List of molecules which passed Eli Lilly MedChem filter after SOM analy...
Additional file 5. Drug reduction index of amitozyn/pyrimethamine and pyrimethamine/amitozyn combina...
Additional file 7: Table S10. Weighted burden number descriptor values (PCAD) of FDA approved drugs ...
Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound p...
Additional file 5. Bioactivities, cytotoxicities and Tanimoto similarities of the Diverse set
Additional file 3: Table S2a. A list of molecules from the test set including their DrugBank IDs and...
Additional file 3: Table S2. Importance and P value of top 10 chemical structure descriptors
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 3: Table S3. The whole list of active MMPs for the AR agonist and antagonist dataset...
Additional file 5: Table S4. Data distribution of training set, testing set and external validation ...
Additional file 5: Table S5. Statistical parameter values of models with PCAD and PowD for training ...
Additional file 9: Table S5. Set of 2,426 target-adverse effects associations extracted from the tar...
Additional file 5. Additional MetFrag results and data (Figures S5âS8, Table S4)
<p>An up-to-date version of three MMP-based data sets derived from compounds included in the latest ...
<p>A new and up-to-date version of three MMP-based data sets derived from compounds included in the ...
Additional file 8: Table S7. List of molecules which passed Eli Lilly MedChem filter after SOM analy...
Additional file 5. Drug reduction index of amitozyn/pyrimethamine and pyrimethamine/amitozyn combina...
Additional file 7: Table S10. Weighted burden number descriptor values (PCAD) of FDA approved drugs ...
Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound p...
Additional file 5. Bioactivities, cytotoxicities and Tanimoto similarities of the Diverse set
Additional file 3: Table S2a. A list of molecules from the test set including their DrugBank IDs and...
Additional file 3: Table S2. Importance and P value of top 10 chemical structure descriptors
Additional file 1: Table S1. List of few molecular descriptors generating software packages
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