Additional file 1. The Wang dataset of the molecules analysed, with the descriptors used in the mapper analysis
Additional file 5. An automated test suite for âQSPR Data Processing Tools Suiteâ
Additional file 9. All scripts used to generate QSPR input files, modelling results and perform anal...
Topological data analysis techniques are applied to distinct problems in chemistry, to determine the...
Additional file 3. The pairwise distance matrix of the one-dimensional persistence diagrams
Additional file 5. The MATLAB program to compute the persistence diagrams for the molecules using th...
Additional file 4. The combined similarity matrix of the distance matrices Additional file 2 and Add...
Additional file 1. The names and structures of 75 compounds in the training set, their solubilities,...
Additional file 2. The names and structures of the 25 compounds in the test set, and a literature so...
Additional file 1. Extensions of the Methods and Data section (section A), step-by-step instructions...
Topological data analysis is a family of recent mathematical techniques seeking to understand the ‘s...
Additional file 1. 1-octanol solubility values from the Open Notebook Science Challenge
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 1. Supplementary file  contains dissimilarity matrix data for all the oligopeptides...
Additional file 3. Additional results files, in electronic format. These additional results are (a) ...
Additional file 8. The curated temperature dependent solubility and enthalpy of solution datasets, i...
Additional file 5. An automated test suite for âQSPR Data Processing Tools Suiteâ
Additional file 9. All scripts used to generate QSPR input files, modelling results and perform anal...
Topological data analysis techniques are applied to distinct problems in chemistry, to determine the...
Additional file 3. The pairwise distance matrix of the one-dimensional persistence diagrams
Additional file 5. The MATLAB program to compute the persistence diagrams for the molecules using th...
Additional file 4. The combined similarity matrix of the distance matrices Additional file 2 and Add...
Additional file 1. The names and structures of 75 compounds in the training set, their solubilities,...
Additional file 2. The names and structures of the 25 compounds in the test set, and a literature so...
Additional file 1. Extensions of the Methods and Data section (section A), step-by-step instructions...
Topological data analysis is a family of recent mathematical techniques seeking to understand the ‘s...
Additional file 1. 1-octanol solubility values from the Open Notebook Science Challenge
Additional file 1: Table S1. List of few molecular descriptors generating software packages
Additional file 1. Supplementary file  contains dissimilarity matrix data for all the oligopeptides...
Additional file 3. Additional results files, in electronic format. These additional results are (a) ...
Additional file 8. The curated temperature dependent solubility and enthalpy of solution datasets, i...
Additional file 5. An automated test suite for âQSPR Data Processing Tools Suiteâ
Additional file 9. All scripts used to generate QSPR input files, modelling results and perform anal...
Topological data analysis techniques are applied to distinct problems in chemistry, to determine the...
DOI
Add to ORKG