Computer-Aided Therapeutic Design Specialist

22 hours ago

Bengaluru, Karnataka, India beBeeDrugDiscovery Full time ₹ 2,00,00,000 - ₹ 2,50,00,000
Computational Chemistry Specialist

We are seeking a skilled Computational Chemistry Specialist to join our team.

This role offers the opportunity to apply cutting-edge AI/ML methodologies to accelerate the identification, design, and optimization of novel therapeutics.

Key Responsibilities:

  • Develop, validate, and deploy state-of-the-art ML models (incl. de novo design, virtual screening, ADMET modeling, and hit-to-lead optimization).
  • Collaborate with medicinal chemists, biologists, and computational scientists to incorporate AI-derived insights into discovery workflows.
  • Architect and maintain AI/ML infrastructure to enable efficient data analysis and hypothesis generation.
  • Monitor advancements in AI/ML for drug discovery, contribute to proprietary methods, and support intellectual property generation.
  • Analyze complex datasets and present actionable recommendations to multidisciplinary teams.

Requirements:

  • A Ph.D. in Computational/Medicinal Chemistry, Bio/Cheminformatics, AI/ML, or related discipline, with 36 years post-doctoral or industry experience.
  • Expertise in deep learning architectures (CNNs, RNNs, Transformers)
  • Proficiency in Python and ML frameworks (TensorFlow, PyTorch)
  • Experience with both structure-based and ligand-based drug discovery approaches
  • A strong interest in agentic AI autonomous, goal-driven systems for scientific discovery.
  • Excellent communication, problem-solving, and cross-functional collaboration abilities.

About This Role:

You will work on high-impact scientific programs, leveraging advanced computational tools to shorten the drug discovery timeline and improve success rates.

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