💡 : In modern R&D, AI and "science-smart" tools are increasingly used to traverse patents and experimental data to suggest new chemical features or synthesis routes.
Are you looking to generate for a machine learning model, or do you need a written feature article about a specific chemical topic?
: Facilitates retrieval of constants (boiling points, heats of formation) to use as model inputs. chemicals
Several digital tools and libraries are used to automate this process:
: Text-based representations used to programmatically derive structure-based features. 💡 : In modern R&D, AI and "science-smart"
: Binary strings (1s and 0s) representing the presence or absence of specific substructures.
: Number of heavy atoms, carbon atoms, or specific functional groups. 💡 : In modern R&D
: LogP (solubility), polar surface area, and charge.