AI-Driven Medicinal Chemistry Specialist

2 days ago

Bengaluru, Karnataka, India beBeeArtificialintelligence Full time ₹ 1,50,00,000 - ₹ 2,50,00,000

Job Title: AI-Driven Medicinal Chemistry Specialist

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    In this role, you will have the opportunity to apply cutting-edge AI and machine learning methodologies to accelerate the identification, design, and optimization of novel therapeutics. You will work at the interface of computational science, medicinal chemistry, and biology.

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Key Responsibilities:

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  • AI-Driven Drug Discovery: Develop, validate, and deploy state-of-the-art ML models (including de novo design, virtual screening, ADMET modeling, and hit-to-lead optimization).">
  • Scientific Integration: Collaborate with medicinal chemists, biologists, and computational scientists to incorporate AI-derived insights into discovery workflows.">
  • Platform Development: Architect and maintain AI/ML infrastructure to enable efficient data analysis and hypothesis generation.">
  • Research & Innovation: Monitor advancements in AI/ML for drug discovery, contribute to proprietary methods, and support intellectual property generation.">
  • Data Translation: Analyze complex datasets and present actionable recommendations to multidisciplinary teams.">
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Required Qualifications:

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    This position requires a Ph.D. in Computational/Medicinal Chemistry, Bio/Cheminformatics, AI/ML, or related discipline, with 3–6 years post-doctoral or industry experience.

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    Technical Skills:

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        - Expertise in deep learning architectures (CNNs, RNNs, Transformers)

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        - Proficiency in Python and ML frameworks (TensorFlow, PyTorch)

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        - Experience with both structure-based and ligand-based drug discovery approaches

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    Mindset: A strong interest in agentic AI — autonomous, goal-driven systems for scientific discovery.

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    Soft Skills: Excellent communication, problem-solving, and cross-functional collaboration abilities.

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Why Join Us?

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    At our company, you will work on high-impact scientific programs, leveraging advanced computational tools to shorten the drug discovery timeline and improve success rates. You will be part of a collaborative, innovation-driven environment where science meets technology to create real-world health impact.

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