Molecular Atomic Charges

Charge Descriptors (features) for molecular property prediction.

On this post i try to investigate about the charge descriptors fingerprints as one may call it . David Winkler 2009 published an article on it Towards Novel Universal Descriptors: Charge Fingerprints . It looks very interesting and can provide insights into the electrostatic properties of molecules, which play an important role in molecular interactions and binding affinity. By…