# In Silico SwissADME Analysis of Antibacterial NHC-Silver Acetates and Halides Complexes
## 1 Introduction
It is widely used by researchers to evaluate various properties essential for drug discovery, including absorption, distribution, metabolism, and excretion (ADME) characteristics, as well as potential toxicity and overall drug-likeness. The tool calculates several physicochemical properties, such as topological polar surface area (TPSA), molecular weight, water solubility, and lipophilicity (LogP). It also assesses whether a compound adheres to [PERSON]'s rule of five, which predicts good oral bioavailability. SwissADME provides a bioavailability radar, a graphical representation of six key physicochemical properties, allowing quick visualization of a molecule's drug-likeness. Additionally, SwissADME predicts pharmacokinetic properties such as gastrointestinal absorption, blood-brain barrier penetration, cytochrome P450 interactions, and other metabolic and excretion characteristics. It evaluates the synthetic accessibility of compounds and their potential for promiscuous binding to various biological targets. This comprehensive set of computational predictions, based on the chemical structure of compounds, makes SwissADME an invaluable tool for medicinal chemists, pharmacologists, and researchers involved in the early stages of drug discovery and development, aiding in the identification of promising drug candidates. SwissADME is offered free of charge with the expectation that it will be useful. Although the said in silico platform is commonly used for the evaluation of medicinal chemistry projects, the Swiss Institute of Bioinformatics (SIB) makes no guarantees or warranties concerning the results obtained from using any information provided through their server. The SIB is not liable for any incidental, consequential, direct, or indirect damages arising from the use of results, data, or information provided through their server. The main aim of this work is to characterize antibacterial NHC-silver acetate and halide complexes using the SwissADME platform to elucidate the key factors that influence the biological activity of the investigated structures. Our study is primarily based on a comprehensive review by [PERSON], [PERSON], and [PERSON] [25], which surveys the literature on antibacterial \(N\)-heterocyclic carbene (NHC)-silver complexes published from 2006 to 2023. Their review provides a thorough examination of the development and antibacterial efficacy of these complexes over this period. Among the various complex structures, the superior ones were identified based on the biological activity results [25]. Hence, the question arises as to whether the more active complexes differ in any way from the others in terms of the parameters provided by the SwissADME tool. Since the computational methods utilized in the SwissADME platform are based on molecular mechanics, as well as various topological and atom-based models [23; 24], we have explored the electronic structures of representative NHC-silver complexes using quantum chemical calculations (DFT) and compared the results with the reported experimental stabilities. These parameters are crucial in the context of biological activity [26].