AutoChem: A comprehensive tool for reaction prediction, network generation, and free energy calculation in chemistry
AutoChem is a software package consisting of two modules. The first module is a virtual chemical reactor that can generate reaction products starting from inserted reactants and reactions. The process can be iterated, calculating reactions of the products obtained from the previous steps. To avoid a...
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| Autors principals: | , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Elsevier
2024-09-01
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| Col·lecció: | SoftwareX |
| Matèries: | |
| Accés en línia: | http://www.sciencedirect.com/science/article/pii/S235271102400222X |
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