Current Drug Metabolism · 2023 · 15 citations · 56 references
PharmacyPharmacokineticsPharmacologyComputational Medicinal ChemistryDrug DiscoveryLead OptimizationAdmet PredictionComputational Drug DiscoveryComputational ToxicologyHigh-throughput ScreeningComputational Biology ModelsComputational Cytotoxicity PredictionComputational Prediction ModelsComputational ScreeningComputer-aided Drug DiscoveryConstraintsDrug Metabolism PredictionIn Silico Toxicity Prediction
In silico tool is the flourishing pathway for Researchers and budding chemists to strain the analytical data in a snapshot. Traditionally, drug research has heavily relied on labor-intensive experiments, often limited by time, cost, and ethical constraints. In silico tools have paved the way for more efficient and cost-effective drug development processes. By employing advanced computational algorithms, these tools can screen large libraries of compounds, identifying potential toxicities and prioritizing safer drug candidates for further investigation. Integrating in silico tools into the drug research pipeline has significantly accelerated the drug discovery process, facilitating early-stage decision-making and reducing the reliance on resource-intensive experimentation. Moreover, these tools can potentially minimize the need for animal testing, promoting the principles of the 3Rs (reduction, refinement, and replacement) in animal research. This paper highlights the immense potential of in silico tools in revolutionizing drug research. By leveraging computational models to predict drug metabolism, pharmacokinetics, and toxicity. Researchers can make informed decisions and prioritize the most promising drug candidates for further investigation. The synchronicity of In silico tools in this article on trending topics is insightful and will play an increasingly integral role in expediting drug development.
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ProTox: a web server for the in silico prediction of rodent oral toxicity
Malgorzata N. Drwal, Priyanka Banerjee, Mathias Dunkel et al. · Nucleic Acids Research · 2014 · 718 citations · Full text
Pharmacy, Pharmacology, Toxicology +16