Quantitative structure activity relationship (QSAR) or quantitative structure property relationship (QSPR) models are developed to correlate activities for sets of compounds with their structure-deriv
If any of the following showed up in the name or chemical formula for a putative name for a feature, it was removed from consideration as a plausible name. (XLSX)
ORDerly cleans chemical reaction data from the growing Open Reaction Database (ORD). Use ORDerly to: Extract and clean your own datasets. Access the ORDerly benchmark datasets for predicting reaction
