Additional file 2. Contains the structures and data used to create and validate the solubility QSPR model in Fig. 10
Additional file 9. All scripts used to generate QSPR input files, modelling results and perform anal...
Additional file 2. QSAR modeling workflow source file. A zipped file of the QSAR modeling workflow i...
Additional file 3. Test set. It contains SMILES of 40 structures considered as hard-to-synthesize by...
Abstract Background Analyzing files containing chemical information is at the core of cheminformatic...
Additional file 2. The names and structures of the 25 compounds in the test set, and a literature so...
Additional file 4.  Output of the curation procedure for the EPISuite⢠solubility dataset
Additional file 1. The names and structures of 75 compounds in the training set, their solubilities,...
Additional file 2. Chemostat Manual: user manual for building a chemostat for phage-assisted continu...
Additional file 1. The Wang dataset of the molecules analysed, with the descriptors used in the mapp...
Additional file 2. Schematic overview of the experimental workflow of this study
Additional file 1. 1-octanol solubility values from the Open Notebook Science Challenge
Additional file 2. Selected natural products with in vitro antiplasmodial activities and currently r...
Additional file 1: Brief description of the evaluated fingerprints. Table S1. Diversity analysis res...
Additional file 2: Table S1. Classification results of different models in the evaluation of Caco-2 ...
Additional file 1: Table S1. Monomers used to construct libraries of hypothetical modular natural pr...
Additional file 9. All scripts used to generate QSPR input files, modelling results and perform anal...
Additional file 2. QSAR modeling workflow source file. A zipped file of the QSAR modeling workflow i...
Additional file 3. Test set. It contains SMILES of 40 structures considered as hard-to-synthesize by...
Abstract Background Analyzing files containing chemical information is at the core of cheminformatic...
Additional file 2. The names and structures of the 25 compounds in the test set, and a literature so...
Additional file 4.  Output of the curation procedure for the EPISuite⢠solubility dataset
Additional file 1. The names and structures of 75 compounds in the training set, their solubilities,...
Additional file 2. Chemostat Manual: user manual for building a chemostat for phage-assisted continu...
Additional file 1. The Wang dataset of the molecules analysed, with the descriptors used in the mapp...
Additional file 2. Schematic overview of the experimental workflow of this study
Additional file 1. 1-octanol solubility values from the Open Notebook Science Challenge
Additional file 2. Selected natural products with in vitro antiplasmodial activities and currently r...
Additional file 1: Brief description of the evaluated fingerprints. Table S1. Diversity analysis res...
Additional file 2: Table S1. Classification results of different models in the evaluation of Caco-2 ...
Additional file 1: Table S1. Monomers used to construct libraries of hypothetical modular natural pr...
Additional file 9. All scripts used to generate QSPR input files, modelling results and perform anal...
Additional file 2. QSAR modeling workflow source file. A zipped file of the QSAR modeling workflow i...
Additional file 3. Test set. It contains SMILES of 40 structures considered as hard-to-synthesize by...
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