Company Type
Pharmaceutical Company
Computational Drug Discovery & Synthetic Chemistry Scientist
Job Overview
We are seeking a highly motivated and scientifically versatile Computational Drug Discovery & Synthetic Chemistry Scientist to support innovative pharmaceutical research spanning computer-aided drug design (CADD), computational chemistry, cheminformatics, computational toxicology, and synthetic route development.
What You'll Do
1. Computational Drug Discovery & Molecular Design
2. Retrosynthetic Analysis & Synthetic Route Development
3. Patent & Literature-Aware Chemistry
4. Computational Toxicology & Safety Assessment
5. Cheminformatics, Data & Computational Platforms
6. Scientific Collaboration
Key Responsibilities
- PhD in Computational Chemistry, Chemistry, Organic Chemistry, Medicinal Chemistry, Physical Chemistry, Pharmaceutical Sciences, Computational Biology, or a closely related discipline
- Postdoctoral experience and/or approximately 1–5 years of relevant industry or research experience
- Demonstrated hands-on experience applying computational methods to real-world drug discovery problems
- Strong expertise in at least two major computational drug discovery areas, such as:
- Molecular docking
- Virtual screening
- Pharmacophore modeling
- Molecular dynamics
- QSAR/QSPR
- Cheminformatics
- Computational ADMET
- Computational toxicology
- Machine learning/AI for drug discovery
- Strong knowledge of organic chemistry and demonstrated ability to perform retrosynthetic analysis and develop synthetic routes for small molecules
- Ability to independently evaluate the feasibility and practicality of proposed synthetic routes
- Experience searching scientific literature and chemical/pharmaceutical patents
- Strong understanding of molecular structure, chemical properties, protein–ligand interactions, reaction chemistry, and principles of drug discovery
- Ability to integrate computational, chemical, and experimental information to make scientific recommendations
- Strong scientific writing, communication, and presentation skills
- Ability to work independently while collaborating effectively in multidisciplinary teams
Qualifications & Requirements
Education: PhD in Computational Chemistry, Chemistry, Organic Chemistry, Medicinal Chemistry, Pharmaceutical Sciences, or a related scientific discipline.
Experience: Postdoctoral experience and/or approximately 1–5 years of relevant industry or research experience. Candidates with exceptional academic, research, or industry experience may also be considered.
Preferred Qualifications
- Proficiency in Python or another scientific programming language
- Experience with cheminformatics libraries such as RDKit
- Experience with industry-standard molecular modeling platforms such as Schrödinger, MOE, OpenEye, or equivalent
- Experience with molecular dynamics packages such as GROMACS, AMBER, NAMD, or equivalent
- Experience developing QSAR, ML, or deep-learning models for molecular properties, ADMET, or toxicity
- Experience with computational toxicology and toxicity endpoint prediction
- Experience with off-target prediction and biological pathway analysis
- Experience developing chemical, biological, or toxicology databases
- Experience developing computational platforms or automated workflows
- Experience with AI-enabled drug discovery or generative chemistry
- Experience searching and interpreting chemical and pharmaceutical patent landscapes
- Familiarity with composition-of-matter, process, intermediate, and Markush claims
- Experience developing alternative synthetic routes in response to existing literature or patent disclosures
- Experience with process chemistry, route optimization, scale-up, impurity control, or CMC considerations
- Experience working with HPC, cloud computing, or distributed computational environments
- Peer-reviewed publications, patents, invention disclosures, or other demonstrated scientific contributions in computational drug discovery, synthetic chemistry, cheminformatics, or computational toxicology
Application Process
1
Submit Application
Complete the application form below with your details and CV
2
Initial Screening
Our HR team will review your application and contact suitable candidates
3
Technical Interview
Selected candidates will have a technical interview with the department head
4
Final Discussion
Final round with senior leadership team and offer discussion
About HRV Pharma
We are India's first Virtual Pharmaceutical Company, transforming global access to essential medicines through our innovative, technology-driven approach.
Company Size
150-200 Employees
Global Reach
Serving 5 Continents
Application Form
Apply for Computational Drug Discovery & Synthetic Chemistry Scientist
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