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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
The app extracts text from the image and tries to match it in its database of questions which are pre-answered, having recorded video solutions. If it finds a match, then the result is provided to the user; otherwise, it asks the user to post their question publicly for tutors available on the platform to provide a video explaining their query.
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
Dendral has specific knowledge about the mass spectrometry technique, a large amount of information that forms the basis of chemistry and graph theory, and information that might be helpful in finding the solution of a particular chemical structure elucidation problem. [4]
The 2024 Nobel Prize in chemistry has been awarded to a trio of scientists who used artificial intelligence to “crack the code” of almost all known proteins, the “chemical tools of life ...
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]