AI ML in Drug Discovery / Cheminformatics - Scientist & Trainer

BioTecNika; Bengaluru; Hybrid; INR 800,000 - 1,400,000; Full time

Benefits offered by this job

Flexible work environment

Career growth opportunities

Mentorship programs

Job summary

BioTecNika Info Labs is seeking an AI ML in Drug Discovery / Cheminformatics Trainer & Scientist. This hybrid role specializes in curriculum design, hands-on training, and research in AI & ML. Candidates should have a relevant PhD or Master's with experience in drug discovery. Join us to innovate in a supportive environment.

Qualifications

• PhD or Master’s in Cheminformatics, Drug Design, Computational Chemistry, AI ML in Life Sciences.
• 1 to 5 years of experience required, with proficiency in relevant cheminformatics tools.
• Strong communication and mentoring skills desired.

Responsibilities

• Deliver practical training on AI ML applications in cheminformatics.
• Engage in cheminformatics research and collaborate on publications.
• Mentor students on live research projects.

Skills

Ligand-based design

Structure-based design

QSAR

molecular docking

ADMET prediction

lead optimization

Python

R

TensorFlow

PyTorch

Scikit-Learn

Keras

NLP for bioactivity data mining

generative models

database creation

similarity searching

clustering

SQL

MongoDB

Education

PhD in Cheminformatics

Master’s in relevant fields

Tools

Flask

Dash

Plotly

Google Colab

Streamlit

Job description

AI ML in Drug Discovery / Cheminformatics - Scientist & Trainer

AI ML in Drug Discovery / Cheminformatics - Scientist & Trainer

Direct message the job poster from BioTecNika

CEO & Co-founder of Biotecnika & Trustee at IBioM Indian Biotech MSME

Job Description

Biotecnika Info Labs Pvt Ltd, a pioneer in the Bio-IT and Biotechnology space, invites applications from passionate and experienced professionals for the role of AI ML in Drug Discovery / Cheminformatics Trainer & Scientist. This hybrid role blends hands-on training, curriculum design, and research in the revolutionary domain of Artificial Intelligence, Machine Learning, and Computational Chemistry applied to Drug Discovery.

Name of the Post: AI ML in Drug Discovery / Cheminformatics - Scientist & Trainer

Number of Posts: 1

Expected Time to Join: Immediate

PhD in Cheminformatics / Computational Chemistry / Medicinal Chemistry / AI ML in Life Sciences / Drug Discovery (PhD preferred but Master’s with relevant experience can apply)

Experience Required: 1 to 5 years

Responsibilities:

1. Training & Project Work in AI ML and Drug Discovery

• Deliver interactive and practical sessions on AI ML applications in cheminformatics and drug.
• Guide hands-on assignments using cheminformatics and AI/ML tools.
• Mentor students on live research projects involving QSAR, molecular docking, virtual screening and data-driven compound analysis.
• Develop cutting-edge, industry-aligned training modules on cheminformatics, predictive modeling, and AI in drug design.
• Customize content for diverse learner groups from BSc/MSc to PhDs.

3. Research Contributions

• Engage in real-world cheminformatics and AI-driven drug discovery research.
• Collaborate with internal teams and external partners on publications and projects.
• Stay abreast of recent breakthroughs in deep learning, generative AI for molecules, and computational drug discovery.
• Provide personalized mentoring to project trainees and guide their research publications.
• Foster interdisciplinary collaboration across biology, chemistry, and computer science.

Qualifications:

• PhD or Master’s in Cheminformatics, Drug Design, Computational Chemistry, AI ML in Life Sciences.
• Proven experience in cheminformatics and molecular modeling tools.
• Strong publication or project portfolio in AI ML-driven drug discovery.
• Excellent communication and mentoring skills.
• Ability to design independent projects and execute them with academic or industrial relevance.

Desired Skills:

• Drug Discovery Skills: Ligand-based & Structure-based design, QSAR, molecular docking, ADMET prediction, lead optimization.
• AI/ML Proficiency: Python, R, TensorFlow, PyTorch, Scikit-Learn, Keras, NLP for bioactivity data mining, generative models (e.g., SMILES-based RNN/Transformer models)
• Data Handling Handling large chemical libraries, database creation (ChEMBL, PubChem), similarity searching, clustering
• Visualization & Deployment: Dash, Plotly, Flask, Google Colab, Streamlit
• Databases: SQL, MongoDB, integration with compound and bioactivity databases

Why Join BioTecNika Info Labs Pvt Ltd?

At Biotecnika, you’ll be working in an ecosystem that values innovation, learning, and purpose-driven work. Supported by biotech leaders and venture capitalists, Biotecnika offers:

• Freedom to innovate and build real-world solutions
• Opportunity to mentor budding scientists globally
• Flexible and human-first work environment
• Career growth in the booming Bio-IT & AI space

Whether you're a passionate scientist, an inspiring educator, or a tech-savvy innovator – your next career milestone begins here.

Seniority level

• Seniority level

  Mid-Senior level

Employment type

• Employment type

  Full-time

Job function

• Job function

  Education

• Industries

  Education

Referrals increase your chances of interviewing at BioTecNika by 2x

Get notified about new Academic Specialist jobs in Bengaluru, Karnataka, India.

VA 8915 - Study Abroad Consultant/Counsellor

T.I.M.E. Bangalore Experienced Academic counsellor /Business Development Executive Urgent Requirement

Counsellor / Senior Counsellor / Lead Counsellor- Study Abroad

Academy Counselor (Psychology + Operations Pro)

We’re unlocking community knowledge in a new way. Experts add insights directly into each article, started with the help of AI.