Additional file 3: S3. An example Excel table downloaded from the Chemistry Dashboard with predicted OPERA values
Additional file 1. 1-octanol solubility values from the Open Notebook Science Challenge
Additional file 1. The Wang dataset of the molecules analysed, with the descriptors used in the mapp...
Additional file 5: Table S5. Statistical parameter values of models with PCAD and PowD for training ...
Data associated with publication on OPERA Models for Predicting Physicochemical Properties and Envir...
Additional file 3: Table S3. Examples of rejection and demerit rules from Eli Lilly MedChem rules
Additional file 3: Table S3. The whole list of active MMPs for the AR agonist and antagonist dataset...
Abstract The collection of chemical structure information and associated experimental data for quant...
Additional file 3: Table S2a. A list of molecules from the test set including their DrugBank IDs and...
The increasing number and size of public databases is facilitating the collection of chemical struct...
Additional file 8: Table S7. List of molecules which passed Eli Lilly MedChem filter after SOM analy...
Additional file 3. Table with the total number of compounds in SciFinder for a given patent that are...
Additional file 2: Table S1. RMSE of LibSVM models calculated with different sets of descriptors
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 1. Supplementary Excel spreadsheet with example data and calculations
Additional file 1. Supplementary data describing the scaffold composition, size of models and perf...
Additional file 1. 1-octanol solubility values from the Open Notebook Science Challenge
Additional file 1. The Wang dataset of the molecules analysed, with the descriptors used in the mapp...
Additional file 5: Table S5. Statistical parameter values of models with PCAD and PowD for training ...
Data associated with publication on OPERA Models for Predicting Physicochemical Properties and Envir...
Additional file 3: Table S3. Examples of rejection and demerit rules from Eli Lilly MedChem rules
Additional file 3: Table S3. The whole list of active MMPs for the AR agonist and antagonist dataset...
Abstract The collection of chemical structure information and associated experimental data for quant...
Additional file 3: Table S2a. A list of molecules from the test set including their DrugBank IDs and...
The increasing number and size of public databases is facilitating the collection of chemical struct...
Additional file 8: Table S7. List of molecules which passed Eli Lilly MedChem filter after SOM analy...
Additional file 3. Table with the total number of compounds in SciFinder for a given patent that are...
Additional file 2: Table S1. RMSE of LibSVM models calculated with different sets of descriptors
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 1. Supplementary Excel spreadsheet with example data and calculations
Additional file 1. Supplementary data describing the scaffold composition, size of models and perf...
Additional file 1. 1-octanol solubility values from the Open Notebook Science Challenge
Additional file 1. The Wang dataset of the molecules analysed, with the descriptors used in the mapp...
Additional file 5: Table S5. Statistical parameter values of models with PCAD and PowD for training ...
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