Lead Cheminformatics Specialist

Placements24; Cape Town; Hybrid; ZAR 900,000 - 1,500,000; Full time

Benefits offered by this job

Hybrid work model

Medical aid

Retirement fund contributions

Professional growth and conferences

Job summary

Placements24 in Cape Town is seeking a Lead Cheminformatics Specialist to drive computational strategies for drug discovery. You will manage large chemical and biological datasets and guide research programs with senior and junior staff.

The role requires advanced degrees and 5+ years in cheminformatics, with strong Python and RDKit/Open Babel expertise. Hybrid work in a leading scientific team offers impactful, international collaboration opportunities.

Qualifications

• PhD or Master's in Cheminformatics, Computational Chemistry, CS or related field.
• 5+ years in applied cheminformatics with drug-discovery focus.
• Proficiency in Python and cheminformatics libraries (RDKit/Open Babel).
• Experience with chemical databases, QSAR, virtual screening and modeling.
• Strong ability to communicate and collaborate across teams.

Responsibilities

• Develop, implement, and maintain cheminformatics tools and databases.
• Design computational experiments to support lead discovery and optimization.
• Analyze large datasets including chemical libraries and SAR data.
• Collaborate with medicinal chemists, biologists, and data scientists.
• Provide technical leadership and mentorship in the Cape Town center.

Skills

Python

RDKit

OpenBabel

Data analysis

QSAR modeling

Cross-functional teamwork

Education

PhD/MS in Cheminformatics

Cheminformatics/Computational Chemistry

Tools

RDKit

Open Babel

Molecular Modeling

Job description

Our client is seeking a talented and experienced Lead Cheminformatics Specialist to join their innovative research team based in Cape Town . This role is critical in leveraging computational approaches to accelerate drug discovery and development. You will be responsible for developing and implementing cheminformatics strategies, managing large chemical and biological datasets, and providing insights to guide research programs. The ideal candidate will have a strong background in computational chemistry, data science, and a passion for applying these skills to solve complex biological problems within a dynamic, forward-thinking scientific organization in the beautiful region of Western Cape .

Key Responsibilities

• Develop, implement, and maintain cheminformatics tools and databases for chemical structure searching, analysis, and visualization.
• Design and execute computational experiments to support lead discovery and optimization efforts.
• Analyze large-scale datasets, including chemical libraries, biological screening data, and structure-activity relationships (SAR).
• Collaborate closely with medicinal chemists, biologists, and data scientists to interpret results and propose next steps.
• Stay current with emerging technologies and methodologies in cheminformatics and computational chemistry.
• Provide technical leadership and mentorship to junior cheminformatics staff within the Cape Town research center.

Requirements

• PhD or Master's degree in Cheminformatics, Computational Chemistry, Computer Science, or a related quantitative field.
• 5+ years of experience in applied cheminformatics, with a focus on drug discovery.
• Proficiency in programming languages such as Python, with libraries relevant to cheminformatics (e.g., RDKit, Open Babel).
• Experience with chemical databases, QSAR modeling, virtual screening, and molecular modeling techniques.
• Strong understanding of biological data and its integration with chemical information.
• Excellent communication and collaboration skills, with the ability to effectively present complex computational results.

Benefits

• Attractive salary package commensurate with experience.
• Comprehensive medical aid and retirement fund contributions.
• Hybrid work model offering flexibility between office and remote work.
• Opportunities for professional growth, attending international conferences, and skill development.
• Engage in groundbreaking research within a leading scientific institution located in Cape Town .