MOESM3 of Can human experts predict solubility better than computers?
Samuel Boobier
Anne Osbourn
John Mitchell
10.6084/m9.figshare.5701252.v1
https://springernature.figshare.com/articles/dataset/MOESM3_of_Can_human_experts_predict_solubility_better_than_computers_/5701252
Additional file 3. The name, structure and solubility data in electronic form for both training and test sets, including SMILES representations of the chemical structures. This DLS-100 dataset may be reused freely with appropriate citation of our work, no further permission is required. It is also available from the University of St Andrews research portal [14] with https://doi.org/10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8 and from figshare [15] with https://doi.org/10.6084/m9.figshare.5545639 .
2017-12-13 05:00:00
Additional
solubility data
chemical structures
research
DLS -100 dataset
Andrews
SMILES representations
MOESM 3
citation
http
University
figshare
St
portal
training
3.
test sets