Demo

Chemical Informatics Specialist

Saroe, Inc.
Morristown, NJ Full Time
POSTED ON 2/3/2025
AVAILABLE BEFORE 5/2/2025

We are seeking a Chemical Informatics Specialist to support our customer’s chemical data management, computational modeling, and cheminformatics applications . The ideal candidate will leverage AI, machine learning, and data analytics to extract insights from chemical data, aiding in drug discovery, materials science, and regulatory compliance .

Key Responsibilities :

  • Design and manage chemical databases for molecular structures, reactions, and properties.
  • Apply machine learning (ML) and artificial intelligence (AI) techniques to predict chemical behaviors, drug interactions, and material properties.
  • Develop and use computational chemistry models for Structure-Activity Relationship (SAR), Quantitative SAR (QSAR), and molecular docking studies.
  • Retrieve and analyze chemical information from databases like SciFinder, Reaxys, ChEMBL, PubChem, and ChemSpider .
  • Implement cheminformatics algorithms for data mining, compound similarity analysis, and molecular property predictions .
  • Work closely with chemists, data scientists, and regulatory teams to support research and development efforts.
  • Ensure regulatory compliance by managing chemical safety data and regulatory information (REACH, FDA, EPA).
  • Automate chemical data workflows using Python, R, KNIME, or Pipeline Pilot .
  • Develop visualization tools to present complex chemical data in a user-friendly manner.

Required Qualifications :

  • Education : Master’s or PhD in Cheminformatics, Computational Chemistry, Bioinformatics, Data Science, or a related field .
  • Experience : 3 years in cheminformatics, computational chemistry, or a related role.
  • Proficiency in Python, R, or Java for chemical data processing.
  • Experience with cheminformatics toolkits (RDKit, Open Babel, ChemAxon).
  • Knowledge of QSAR, SAR, and molecular docking techniques .
  • Familiarity with AI / ML frameworks (TensorFlow, PyTorch, Scikit-Learn) for chemical modeling.
  • Experience with databases and APIs (SQL, NoSQL, ChEMBL, PubChem API).
  • Soft Skills : Strong problem-solving abilities, attention to detail, and ability to collaborate with cross-functional teams.
  • Nice-to-Have :

  • Hands-on experience with cloud platforms (AWS, Azure, Google Cloud) for big chemical data processing.
  • Knowledge of high-performance computing (HPC) for large-scale chemical simulations.
  • Understanding of chemical patents and intellectual property (IP) research .
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