Senior Cheminformatician - Computational Chemistry

Placements24; East London; Hybrid; ZAR 900,000 - 1,800,000; Full time

Benefits offered by this job

Health insurance

Retirement plan

Remote-first culture

Job summary

Placements24 seeks a Senior Cheminformatician to join a fully remote team. The role focuses on designing, analyzing, and optimizing small molecules for therapeutic applications using computational methods.

You will develop workflows, manage chemical data, and collaborate with medicinal chemists to guide drug design strategies, leveraging QSAR models and SAR analyses in a remote, collaborative global environment.

Qualifications

• Ph.D. in Cheminformatics, Computational Chemistry, or related field.
• ≥6 years in cheminformatics with drug discovery focus.
• Experience with molecular modeling, virtual screening, and QSAR.
• Strong Python programming and libraries (RDKit, OpenBabel).
• Excellent collaboration in remote, cross-functional teams.

Responsibilities

• Develop and maintain cheminformatics tools and databases for design, virtual screening, and property prediction.
• Design datasets with SAR, diversity analysis, and ADMET profiling.
• Collaborate with medicinal chemistry and computational biology teams to guide molecular design.
• Implement and optimize QSAR models and other predictive methods.
• Manage large chemical databases with data integrity and efficient querying.
• Automate complex workflows using Python and scripting; present findings to teams; contribute to IP.

Skills

Python

RDKit

QSAR modeling

SAR analysis

Machine learning

Drug discovery

Education

Ph.D. in Cheminformatics/Computational Chemistry/Medicinal Chemistry/CS

Tools

Schrödinger Suite

MOE

OpenBabel

Job description

About the Role

Our client, a forward-thinking biotechnology firm focused on accelerating drug discovery through computational approaches, is seeking a Senior Cheminformatician to join their expanding, fully remote team. This critical role involves leveraging computational tools and databases to design, analyze, and optimize small molecules for therapeutic applications. The Senior Cheminformatician will be instrumental in developing and implementing cheminformatics workflows, managing chemical data, and collaborating with medicinal chemists and computational biologists to guide drug design strategies. The ideal candidate possesses a deep understanding of chemical principles, extensive experience with cheminformatics software and databases, and a passion for applying computational methods to solve complex biological and chemical problems. This is an exceptional opportunity to contribute to groundbreaking research and development from the comfort of your home office, working with a highly skilled and collaborative global team.

Key Responsibilities

Develop, maintain, and apply cheminformatics tools and databases for chemical library design, virtual screening, and property prediction. Design and analyze compound datasets, including structure-activity relationship (SAR) analysis, diversity analysis, and ADMET profiling. Collaborate closely with medicinal chemistry and computational biology teams to provide cheminformatics support and guide molecular design efforts. Implement and optimize quantitative structure-activity relationship (QSAR) models and other predictive computational models. Manage and curate large chemical databases, ensuring data integrity, accessibility, and efficient querying. Stay abreast of the latest advancements in cheminformatics, computational chemistry, and their application in drug discovery. Develop and automate complex cheminformatics workflows using scripting languages (e.g., Python) and relevant software packages. Present computational findings and recommendations to project teams and stakeholders. Contribute to the development of intellectual property through patent applications and publications.

Requirements

Ph.D. in Cheminformatics, Computational Chemistry, Medicinal Chemistry, Computer Science, or a related quantitative field. A minimum of 6 years of progressive experience in cheminformatics, with a strong focus on drug discovery applications. Proven expertise in developing and applying cheminformatics tools and techniques, including molecular modeling, virtual screening, and QSAR. Proficiency with chemical drawing and modeling software (e.g., Schrödinger Suite, MOE, RDKit). Extensive experience with chemical databases and data management. Strong programming skills, particularly in Python, and experience with relevant cheminformatics libraries (e.g., RDKit, OpenBabel). Excellent analytical and problem-solving skills, with the ability to translate chemical and biological questions into computational solutions. Strong written and verbal communication skills, with the ability to collaborate effectively in a remote, cross-functional team environment. Experience with machine learning techniques applied to chemical data is a significant advantage.

Benefits

Our client offers a highly competitive salary and bonus structure, commensurate with experience, and a comprehensive benefits package including health insurance and a retirement savings plan. As a remote-first company, we offer significant flexibility and support for employees to work from their preferred location. You will have the opportunity to work on impactful drug discovery projects, utilize cutting-edge computational tools, and collaborate with a world-class scientific team. We foster a culture of innovation, continuous learning, and scientific excellence. Join a dynamic organization at the forefront of computational drug discovery.