Computational Scientist - Cheminformatics

Placements24; LegKraal Gate; Hybrid; ZAR 700,000 - 900,000; Full time

Benefits offered by this job

Competitive salary and bonus

Advanced computational resources

Medical, dental, and vision insurance

Generous paid time off

Hybrid work environment

Job summary

Placements24 is seeking a highly analytical Computational Scientist in Mahikeng to join a hybrid research team focusing on drug discovery and materials science. The role combines on-site lab collaboration with remote data analysis to develop computational tools and analyze chemical structures.

The ideal candidate has advanced degrees in cheminformatics or computational chemistry and strong programming experience with RDKit/Open Babel, applying ML to chemical data and collaborating with chemists.

Qualifications

• PhD or MS in Cheminformatics, Computational Chemistry, Computer Science, or a related quantitative field.
• Proven experience in applying cheminformatics principles and tools in a research setting.
• Strong programming skills in Python, R, or Java, with experience in RDKit/Open Babel.

Responsibilities

• Develop and maintain chemical databases and computational tools for chemical structure searching and analysis.
• Apply cheminformatics techniques (e.g., QSAR, molecular similarity, scaffold hopping) to support drug discovery and lead optimization.
• Build predictive models for chemical properties, ADMET profiles, and biological activity.
• Collaborate with medicinal chemists and biologists to interpret computational results and guide experimental design.
• Visualize chemical structures and data effectively for reporting and presentation.
• Stay updated with the latest advancements in cheminformatics and computational chemistry methodologies.

Skills

Cheminformatics

Python

RDKit/Open Babel

Machine Learning

Data analysis

Collaboration

Education

PhD or MS in Cheminformatics/Computational Chemistry

Tools

RDKit

Open Babel

Job description

About the Role

Our client is seeking a highly analytical Computational Scientist with expertise in Cheminformatics to join their innovative research team in Mahikeng . This hybrid role offers a unique blend of on-site laboratory interaction and remote data analysis, focusing on the application of computational methods to accelerate drug discovery and materials science. You will be responsible for developing and applying computational tools and databases to analyze chemical structures, predict properties, and guide experimental efforts. The ideal candidate is a skilled programmer with a passion for leveraging data to solve complex chemical challenges, thriving in a collaborative environment that fosters both independent work and teamwork.

Key Responsibilities

• Develop and maintain chemical databases and computational tools for chemical structure searching and analysis.


• Apply cheminformatics techniques (e.g., QSAR, molecular similarity, scaffold hopping) to support drug discovery and lead optimization.


• Build predictive models for chemical properties, ADMET profiles, and biological activity.


• Collaborate with medicinal chemists and biologists to interpret computational results and guide experimental design.


• Visualize chemical structures and data effectively for reporting and presentation.


• Stay updated with the latest advancements in cheminformatics and computational chemistry methodologies.

Requirements

• Ph.D. or M.S. in Cheminformatics, Computational Chemistry, Computer Science, or a related quantitative field.


• Proven experience in applying cheminformatics principles and tools in a research setting.


• Strong programming skills in Python, R, or Java, with experience in relevant libraries (e.g., RDKit, Open Babel).


• Experience with chemical databases and structure-activity relationship (SAR) analysis.


• Solid understanding of machine learning algorithms applicable to chemical data.


• Excellent communication and collaboration skills, with the ability to work effectively in a hybrid team structure.

Benefits

• Competitive salary and performance-based bonus opportunities.


• Access to advanced computational resources and cutting-edge research projects.


• Comprehensive medical, dental, and vision insurance.


• Generous paid time off and opportunities for professional development.


• A supportive hybrid work environment balancing on-site collaboration with remote flexibility.