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undruggable Traditional drug development is a long and expensive process. This where computational chemistry steps in as powerful tool to improve the efficiency of hybrid development. Here's how: Accelerating Lead Discovery: Virtual Screening: Large chemical libraries containing millions compounds can be screened computationally identify those with promising properties for binding specific target molecule like protein involved disease 2. helps prioritize which molecules test lab saving time resources. De Novo Design: Computational tools used design entirely new from scratch tailored fit pocket molecule particularly useful previously targets. Optimizing Drug Candidates: Molecular Docking: Simulates how interacts predicting affinity potential efficacy 3. researchers refine structure candidate its function. ADMET Prediction: models predict candidate's Absorption Distribution Metabolism Excretion Toxicity profile allows problems early on focus favorable characteristics. Benefits Hybrid Approach: Reduced Costs: By filtering out unsuitable candidates early methods significantly reduce cost Faster Development: The it takes bring market drastically shortened through screening optimization. Improved Success Rates: focusing better drug-like properties chances successfully progressing clinical trials are increased. Overall plays vital role by making process faster more efficient cost-effective. paves way discovery drugs treat wider range diseases.
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