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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.
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]
Gurobi Optimizer is a prescriptive analytics platform and a decision-making technology developed by Gurobi Optimization, LLC. The Gurobi Optimizer (often referred to as simply, “Gurobi”) is a solver, since it uses mathematical optimization to calculate the answer to a problem.
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.
Computational chemistry can help predict values like activation energy from catalysis. The presence of the catalyst opens a different reaction pathway (shown in red) with lower activation energy. The final result and the overall thermodynamics are the same. Computational chemistry is a tool for analyzing catalytic systems without doing experiments.
Symbolab is an answer engine [1] that provides step-by-step solutions to mathematical problems in a range of subjects. [2] It was originally developed by Israeli start-up company EqsQuest Ltd., under whom it was released for public use in 2011.
Aqion is a hydrochemistry software tool. It bridges the gap between scientific software (such like PhreeqC [1]) and the calculation/handling of "simple" water-related tasks in daily routine practice.
The Stanford Research Institute Problem Solver, known by its acronym STRIPS, is an automated planner developed by Richard Fikes and Nils Nilsson in 1971 at SRI International. [1] The same name was later used to refer to the formal language of the inputs to this planner.