Wilkinson, Matthew R. published the artcileImages of chemical structures as molecular representations for deep learning, Name: 2-Methylbenzoic acid, the publication is Journal of Materials Research (2022), 37(14), 2293-2303, database is CAplus.
Implementing Artificial Intelligence for chem. applications provides a wealth of opportunity for materials discovery, healthcare and smart manufacturing For such applications to be successful, it is necessary to translate the properties of mols. into a digital format so they can be passed to the algorithms used for smart modeling. The literature has shown a wealth of different strategies for this task, yet there remains a host of limitations. To overcome these challenges, we present two-dimensional images of chem. structures as mol. representations. This methodol. was evaluated against other techniques in both classification and regression tasks. Images unlocked (1) superior augmentation strategies, (2) application of specialist network architectures and (3) transfer learning, all contributing to superior performance and without prior specialised knowledge on cheminformatics required. This work takes advantage of image feature maps which do not rely on chem. properties and so can represent multi-component systems without further property calculations
Journal of Materials Research published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C6H5NO, Name: 2-Methylbenzoic acid.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia