Structure-Based Molecular Optimisation Through Deep Generative Networks: AI-Enhanced Computational Strategies for Rational Drug Design
Keywords:
structure-based molecular optimisation, deep generative networks, ai-enhanced computational strategies, rational drug design, machine learningAbstract
Chemical biology can't escape from the marriage between computational science and high-throughput experimentation, either intentionally or unintentionally. The large amounts, variability, higher dimensions, and flexibility of data are supported and applied through model-driven AI techniques, producing clinical interest modules represented as models implicated in pathological situations or patient responses, such as bioactivity, imaging, and mathematical models, blending strong learning from targDownloads
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