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Senior Scientist I, Cheminformatics

Eikon Therapeutics
Millbrae, USA
Senior · 16+ years experience
Onsite
$178,000 to $215,250
Discovered 5 days ago
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Qualifications

  • Ph.D. plus 5 years of relevant experience; or Master's plus 14 years of relevant experience; or Bachelor's plus 16 years of relevant experience.
  • Expertise in cheminformatics data analysis, data mining, and machine learning models to solve drug discovery problems.
  • Expertise with ligand-based design approaches, QSAR, multiparameter optimization to rationalize SAR and design novel molecules.
  • Expertise in scientific programming languages such as python, with experience using RDKit and other cheminformatic libraries and data analytics (Spotfire, DataWarrior, D360).
  • Experience in virtual screening, HTS triaging, hit calling, and diversity analysis.
  • Familiar with commercial platforms and ELN/registration systems (Schrödinger, OpenEye, MOE, Dotmatics, DataBricks, KNIME).
  • A track record of publications, patents and/or conference presentations in computational chemistry and/or drug discovery.
  • Excellent problem-solving abilities and the ability to work in a fast-paced, dynamic research environment.
  • Strong communication skills with the ability to convey complex scientific concepts to both technical and non-technical stakeholders.
  • At Eikon, employee compensation also includes bonus and equity compensation, in addition to several generous benefit programs, including:
  • 401k plan with company matching
  • Medical (premiums covered by Eikon at 95%), dental and vision insurance (premiums covered by Eikon at 100%)
  • Mental health and wellness benefits
  • Weeklong summer and winter holiday shutdowns
  • Generous paid time off and holiday policies
  • Life/AD&D Insurance (premiums covered by Eikon at 100%) and optional supplemental employee-paid life/AD&D policies
  • Enhanced parental leave benefit
  • Daily subsidized lunch program when on-site
  • The expected salary range for this role is $178,000 to $215,250 depending on skills, competency, and the market demand for your expertise.
  • Eikon is proud to be an equal opportunity employer and will consider all qualified applicants for employment.
  • We are currently not accepting any new third-party agencies or firms at this time. Please do not forward unsolicited agency resumes to our website, employees or Human Resources. Eikon Therapeutics will not pay fees to any third-party agency or firm associated with unsolicited resumes.
  • You’re a cheminformatics expert who loves to solve difficult problems and are not discouraged by challenges. You have a passion for drug discovery and thrive in a fast-paced, dynamic environment. You are curious, love challenges, and enjoy pushing the edge of technology to solve important problems with creative solutions. You’re collaborative by nature, resourceful, open-minded, data-driven, and can operate with a sense of urgency.
  • What You’ll Do
  • Develop and apply cheminformatics data-mining algorithms for the analysis of molecular modeling, virtual screening, and structure-activity relationship (SAR) analysis.
  • Process and analyze chemical and biological datasets to evaluate properties such as drug-likeness, ADMET properties, dosing, etc.
  • Utilize molecular fingerprints, descriptors, and similarity metrics for compound clustering, classification, and regression.
  • Assist in development, maintenance, and monitoring of AI/ML models used for property prediction.
  • Optimize data pipelines for processing and storing chemical structures using cheminformatics toolkits (e.g., RDKit).
  • Collaborate with cross-functional teams to integrate computational approaches into curation and analysis workflows.
  • Maintain best practices in data integrity, reproducibility, and documentation of QSAR AI/ML models.
  • Provide guidance on the application of modern cheminformatics, ML/AI methods for library design (e.g. diversity, focused, fragment, DEL) and analyzing large datasets from HTS campaigns to building predictive models from them.
  • Routinely employ expert knowledge and analysis of SAR, physiochemical and ADMET properties.
  • Work alongside medicinal chemists to further triage emerging hits from HTS.
  • Collaborate closely with our data science team to integrate cutting edge AI/ML tools into our chemistry and drug discovery processes.

Preferred Qualifications

  • Life/AD&D Insurance (premiums covered by Eikon at 100%) and optional supplemental employee-paid life/AD&D policies

Responsibilities

  • Develop and apply cheminformatics data-mining algorithms for the analysis of molecular modeling, virtual screening, and structure-activity relationship (SAR) analysis.
  • Process and analyze chemical and biological datasets to evaluate properties such as drug-likeness, ADMET properties, dosing, etc.
  • Utilize molecular fingerprints, descriptors, and similarity metrics for compound clustering, classification, and regression.
  • Assist in development, maintenance, and monitoring of AI/ML models used for property prediction.
  • Optimize data pipelines for processing and storing chemical structures using cheminformatics toolkits (e.g., RDKit).
  • Collaborate with cross-functional teams to integrate computational approaches into curation and analysis workflows.
  • Maintain best practices in data integrity, reproducibility, and documentation of QSAR AI/ML models.
  • Provide guidance on the application of modern cheminformatics, ML/AI methods for library design (e.g. diversity, focused, fragment, DEL) and analyzing large datasets from HTS campaigns to building predictive models from them.
  • Routinely employ expert knowledge and analysis of SAR, physiochemical and ADMET properties.
  • Work alongside medicinal chemists to further triage emerging hits from HTS.
  • Collaborate closely with our data science team to integrate cutting edge AI/ML tools into our chemistry and drug discovery processes.

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