Principal Scientist - Cheminformatics

Placements24; Gauteng; Hybrid; ZAR 1,500,000 - 2,400,000; Full time

Benefits offered by this job

Remote work flexibility

Competitive salary and bonus

Health, retirement, and life insurance

World-class computational resources

Job summary

Placements24 is seeking an experienced Principal Scientist in Cheminformatics to lead data analysis and modeling for Centurion research programs. You will develop computational strategies to guide drug discovery, build predictive models, and design virtual screening campaigns.

The role demands a PhD and 7+ years in pharma/biotech, with Python (RDKit, Pandas) and SQL expertise, plus ML experience. Remote work flexibility offered for the right candidate.

Qualifications

• PhD in Cheminformatics, Computational Chemistry, Computer Science, or related quantitative field.
• 7+ years applying cheminformatics in pharma/biotech.
• Expertise in descriptors, similarity searching, clustering, and machine learning.
• Proficiency in Python (RDKit, Pandas) and SQL.
• Experience with Schrödinger Suite, MOE, KNIME.
• Strong understanding of organic chemistry and drug discovery.

Responsibilities

• Develop and deploy advanced cheminformatics tools for molecular modeling, virtual screening, and data mining.
• Design SAR and QSAR studies.
• Manage and curate large chemical/biological datasets with quality control.
• Collaborate with medicinal chemists, biologists, and data scientists on objectives and strategies.
• Provide expert consultation on computational approaches to library design and lead optimization.
• Mentor junior cheminformaticians and contribute to strategic direction of the computational sciences group.

Skills

Machine learning

Python

SQL

Data analysis

Education

PhD in Cheminformatics / related field

Tools

RDKit

Pandas

Schrödinger Suite

MOE

KNIME

Job description

About the Role

Our client is looking for an experienced Principal Scientist specializing in Cheminformatics to lead critical data analysis and modeling efforts for their research programs in Centurion . This senior position involves developing and implementing computational strategies to guide drug discovery and development, leveraging vast chemical and biological datasets. You will play a key role in building predictive models, designing virtual screening campaigns, and enhancing our understanding of structure-activity relationships. This is a strategic leadership role for an expert in computational chemistry and data science, seeking to drive innovation within a leading research organization.

Key Responsibilities

• Develop and deploy advanced cheminformatics tools and algorithms for molecular modeling, virtual screening, and data mining.
• Design and implement structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR) studies.
• Manage and curate large chemical and biological datasets, ensuring data quality and accessibility.
• Collaborate with medicinal chemists, biologists, and data scientists to define research objectives and computational strategies.
• Provide expert consultation on computational approaches to chemical library design and lead optimization.
• Mentor junior cheminformaticians and contribute to the strategic direction of the computational sciences group.

Requirements

• PhD in Cheminformatics, Computational Chemistry, Computer Science, or a related quantitative field.
• Significant experience (7+ years) in applying cheminformatics techniques within the pharmaceutical or biotech industry.
• Expertise in molecular descriptor calculation, similarity searching, clustering, and machine learning methods.
• Proficiency in programming languages such as Python (with libraries like RDKit, Pandas) and SQL.
• Experience with chemical drawing and database software (e.g., Schrödinger Suite, MOE, KNIME).
• Strong understanding of organic chemistry principles and drug discovery processes.

Benefits

• An exceptionally competitive salary and bonus structure.
• Comprehensive health, retirement, and life insurance benefits.
• Significant opportunities for career advancement and leadership development.
• Remote work flexibility for the right candidate.
• Access to world-class computational infrastructure and data resources.
• A highly collaborative and intellectually stimulating research environment in Centurion .