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Computer aided formulation design based on molecular dynamics simulation: Detergents with fragrance
Date of Publication:2024-11-29
Journal:Computers and Chemical Engineering
Volume:192
ISSN No.:0098-1354
Key Words:Bayesian neural networks; Computer-aided formulation; Computer aided molecular design; Computer-based applications; Domain knowledge; Dynamics simulation; Formulation design; Molecular dynamic simulation; Neural networks algorithms; Products quality; Soaps (detergents)