Data Scientist - Cheminformatics

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

Benefits offered by this job

Competitive salary

Remote-first environment

Flexible work hours

Professional growth

Cutting-edge research projects

Job summary

Placements24 seeks a Data Scientist specialized in Cheminformatics to join its fully remote R&D team. The role focuses on applying advanced computational methods to chemical and biological data to advance drug discovery and materials science.

You will develop predictive models, analyze molecular structures, and integrate diverse data sources while collaborating with medicinal chemists and biologists in a virtual environment.

Qualifications

• Master's or Ph.D. in Cheminformatics, Computational Chemistry, Data Science, Computer Science, or related field.
• Proven experience applying data science and ML to chemical/biological data.
• Proficiency in Python with RDKit, Pandas, Scikit-learn, TensorFlow/PyTorch.

Responsibilities

• Develop ML models for property prediction, virtual screening, and lead optimization.
• Analyze chemical structures, reactions, and activity data using cheminformatics tools.
• Build/maintain chemical databases and integrate diverse data sources.
• Collaborate remotely with chemists and biologists to define goals and data needs.
• Visualize complex chemical/biological data to communicate insights.
• Contribute to internal cheminformatics platforms and workflows.

Skills

Python

RDKit

Pandas

Scikit-learn

TensorFlow/PyTorch

SMILES/Molfile

Remote collaboration

Chemoinformatics

Education

Master's or PhD in Cheminformatics/Computational Chemistry/Data Science

Tools

RDKit

TensorFlow

PyTorch

Job description

About the Role

Our client is seeking a skilled Data Scientist with a specialization in Cheminformatics to join their innovative, fully remote R&D team. This role is critical for advancing drug discovery and materials science through the application of advanced computational methods to chemical and biological data. You will be responsible for developing predictive models, analyzing molecular structures, and extracting meaningful insights from complex datasets to guide research and development efforts. This is an ideal opportunity for a data-driven individual who thrives in a collaborative, virtual environment and is passionate about applying data science techniques to solve challenging problems in chemistry and related fields. The position offers significant autonomy and the chance to impact critical research outcomes.

Key Responsibilities

• Develop and implement machine learning models for property prediction, virtual screening, and lead optimization of chemical compounds.
• Design and execute analyses of chemical structures, reactions, and biological activity data using cheminformatics tools and techniques.
• Build and maintain databases of chemical information, integrating diverse data sources for analysis.
• Collaborate remotely with medicinal chemists, computational chemists, and biologists to define project goals and data requirements.
• Visualize complex chemical and biological data to effectively communicate findings and insights.
• Contribute to the development of internal cheminformatics platforms and workflows.

Requirements

• Master's or Ph.D. in Cheminformatics, Computational Chemistry, Data Science, Computer Science, or a related field.
• Proven experience in applying data science and machine learning techniques to chemical or biological data.
• Proficiency in programming languages such as Python, with experience in libraries like RDKit, Pandas, Scikit-learn, and TensorFlow/PyTorch.
• Strong understanding of chemical representations (SMILES, Molfile), molecular descriptors, and structure-activity relationships.
• Experience with chemical databases and information systems.
• Excellent problem-solving skills and the ability to work effectively in a fully remote team setting.

Benefits

• Competitive salary and comprehensive benefits package.
• Opportunities for professional growth and continued learning in data science and cheminformatics.
• Flexible work hours and a remote-first work environment.
• Exposure to exciting research projects in drug discovery and materials science.
• A collaborative and intellectually stimulating virtual workplace.
• Contribution to cutting-edge scientific advancements.