Lead Cheminformatics Scientist - Drug Discovery

Placements24; Mossel Bay; On-site; ZAR 1,200,000 - 1,800,000; Full time

Benefits offered by this job

Medical aid

Retirement planning

Performance bonuses

Job summary

Placements24 invites applications for a Lead Cheminformatics Scientist at our Mossel Bay, Western Cape facility. This senior role drives drug discovery using computational methods, data science, QSAR modeling, virtual screening and molecular visualization, while shaping the cheminformatics infrastructure and collaborating with medicinal chemists and biologists.

You will mentor junior scientists, present findings to project teams and senior management, and contribute to data management and model

Qualifications

• PhD in Cheminformatics, Computational Chemistry, Pharmaceutical Sciences, or a related field.
• Minimum of 6 years of progressive experience in cheminformatics with a focus on drug discovery.
• Expertise in chemical data management, databases, and drawing tools; strong QSAR and ML experience.

Responsibilities

• Lead the development and implementation of cheminformatics strategies for drug discovery.
• Manage and curate chemical databases ensuring data integrity and accessibility.
• Develop QSAR models, ML algorithms, and predictive computational methods.
• Perform virtual screening campaigns to identify lead compounds.
• Collaborate with medicinal chemistry teams to guide design and optimization.
• Analyze large-scale chemical/biological datasets to extract insights.
• Evaluate and integrate new cheminformatics software and technologies.
• Mentor junior cheminformatics scientists and contribute to team development.
• Present findings and recommendations to project teams and senior management.

Skills

Cheminformatics leadership

Data management

QSAR modeling

Machine learning

Programming: Python

Programming: R

Programming: Java

Virtual screening

Medicinal chemistry knowledge

Education

PhD in Cheminformatics or related

Tools

Schrodinger

KNIME

RDKit

Job description

About the Role Our client, a globally recognized pharmaceutical research company, is seeking an accomplished Lead Cheminformatics Scientist to drive innovation in drug discovery efforts at our facility in Mossel Bay, Western Cape. This senior leadership role will involve the application of computational methods and data science techniques to design, analyze, and optimize small molecules for therapeutic targets. You will play a crucial role in managing our cheminformatics infrastructure, developing predictive models for compound properties and biological activity, and collaborating closely with medicinal chemists, biologists, and pharmacologists. The ideal candidate possesses extensive experience in chemical data management, virtual screening, quantitative structure-activity relationship (QSAR) modeling, and molecular visualization. This is a highly impactful position within a vibrant research environment, offering the opportunity to contribute to the development of life‑saving medicines.

Key Responsibilities

• Lead the development and implementation of cheminformatics strategies and tools for drug discovery.
• Manage and curate chemical databases, ensuring data integrity and accessibility.
• Develop and apply QSAR models, machine learning algorithms, and other predictive computational methods.
• Perform virtual screening campaigns to identify promising lead compounds.
• Collaborate with medicinal chemistry teams to guide compound design and optimization.
• Analyze large-scale chemical and biological datasets to extract actionable insights.
• Evaluate and integrate new cheminformatics software and technologies.
• Mentor junior cheminformatics scientists and contribute to team development.
• Present findings and recommendations to project teams and senior management.

Requirements

• Ph.D. in Cheminformatics, Computational Chemistry, Pharmaceutical Sciences, or a related field.
• Minimum of 6 years of progressive experience in cheminformatics, with a focus on drug discovery.
• Demonstrated expertise in chemical data management, chemical drawing tools (e.g., Schrodinger, KNIME, RDKit), and molecular databases.
• Strong experience with QSAR modeling, statistical analysis, and machine learning techniques applied to chemical data.
• Proficiency in programming languages such as Python, R, or Java, and experience with relevant scientific libraries.
• Experience with virtual screening, scaffold hopping, and molecular property prediction.
• Excellent understanding of medicinal chemistry principles and drug discovery processes.
• Proven ability to lead projects and collaborate effectively within multidisciplinary teams.
• Strong communication and presentation skills.

Benefits

• Our client offers an attractive salary, comprehensive benefits package including medical aid, retirement planning, and performance bonuses.
• Employees benefit from access to cutting‑edge research facilities, continuous professional development, and ample opportunities for career advancement.
• The location in Mossel Bay, Western Cape, provides a desirable coastal setting.
• We are committed to fostering an innovative and collaborative work environment.
• Join us in shaping the future of medicine through advanced computational approaches.