This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI desc
A reaction SMILES dataset (234K), each line in the file represents a valid reaction SMILES. Source material US patents collection by Daniel Lowe with data enhancement. Source material also includes re
Chemical compound data from PubChem database. IUPAC Name: N-hexyl-1-phenylmethanimine. Molecular Formula: C13H19N. Molecular Weight: 189.3. This dataset contains...
The model development was carried out in the Google Colaboratory environment, using the NumPy (version 1.25.2), Pandas (version 2.0.3) and Matplotlib (version 3.7.1) libraries for data processing and
This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI desc
