Synthetic Medicinal Chemist Role

2 days ago

Vadodara, Gujarat, India beBeeDrugDiscovery Full time US$ 1,40,000 - US$ 1,70,000
AI-Powered Medicinal Chemist Lead

We are seeking a skilled medicinal chemist to lead our AI-driven drug discovery efforts. Our team integrates state-of-the-art structural modeling, generative design, and reinforcement learning agents to explore the vast chemical space for novel small-molecule therapeutics.

The successful candidate will work closely with deep learning specialists to combine cutting-edge AI tools with their expertise in medicinal chemistry and structure-based design.

This is a strategic, non-lab role where you will bridge AI outputs with biological and chemical insight, prioritizing compounds for synthesis/testing.

Main Responsibilities:

  • Lead ligand pose prediction workflows using state-of-the-art AI and computational docking tools.
  • Evaluate protein–ligand binding interactions for fit, contact quality, and structural plausibility.
  • Collaborate with AI/deep learning engineers to refine de novo molecular generation strategies.
  • Apply drug-likeness, ADMET, novelty, and selectivity criteria to prioritize compound candidates.
  • Integrate binding mode insights with biological context to align compounds with target mechanism-of-action.
  • Generate clear, actionable compound selection lists for partner synthesis and in-vitro testing.

Necessary Qualifications:

  • PhD or Masters in Medicinal Chemistry, Chemical Biology, Computational Chemistry, or related discipline.
  • Proven experience in structure-based drug design and ligand pose evaluation.
  • Strong working knowledge of protein–ligand binding principles.
  • Familiarity with AI/ML-based molecular design platforms.

Preferred Skills:

  • Familiarity with pharmacophore modeling and pocket geometry analysis.
  • Experience in multi-objective optimization (binding, ADMET, novelty).

You'll be joining at the frontier of AI-guided drug discovery, working side-by-side with deep learning experts to build a platform capable of efficiently searching through 10^60 chemical possibilities. Your expertise will directly shape the quality and novelty of our candidate compounds, accelerating the path from target to therapy.

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