Discovery Cheminformatics Scientist - AI-Driven Drug Design

Octant; Emeryville (CA); Hybrid; USD 145.000 - 185.000; Vollzeit

Benefits dieser Stelle

Health benefits (medical, dental, and)

Equity

401(k) matching

Zusammenfassung

Octant, located in Emeryville, CA, seeks a scientist with strong chemistry and computational background to drive small molecule drug discovery using cheminformatics and ML. The role integrates chemical synthesis data and AI-driven exploration within a live program environment, collaborating with chemists and biologists.

Preferred is a PhD with 2+ years in drug discovery and deep experience with RDKit, ML models, and robust data infrastructure.

Qualifikationen

• Advanced degree (PhD preferred) in chemistry, computer science, statistics, or related field.
• 2+ years of drug discovery experience.
• Fluent in medicinal chemistry discussions and SAR concepts.
• Deep cheminformatics expertise with toolkits (RDKit, Datamol, OEChem).
• Applied machine learning to chemical problems using PyTorch, JAX, scikit-learn, DeepChem.

Aufgaben

• Lead cheminformatics on multiple drug discovery programs, analyzing data with medicinal chemists and biologists and guiding compound selection.
• Expand cheminformatics and ML capabilities, including chemical space exploration, ADME modeling, and long-term computational strategy.
• Collaborate with chemists to design and test chemical libraries and guide hit-to-lead and lead optimization.
• Develop and contribute to data and computational infrastructure for consistent, rigorous data analysis.
• Build agentic workflows by encoding cheminformatics methods as tools used by AI agents for proposing, triaging, and analyzing compounds.

Kenntnisse

Python

NumPy

pandas

RDKit

Machine learning

QSAR models

Data visualization

Cloud computing

Version control

Ausbildung

PhD in chemistry, CS, statistics or related

Tools

Datamol

OEChem

PyTorch

JAX

scikit-learn

DeepChem

Git

Jobbeschreibung

Octant, located in Emeryville, CA, seeks a scientist with strong chemistry and computational background to drive small molecule drug discovery using cheminformatics and ML. The role integrates chemical synthesis data and AI-driven exploration within a live program environment, collaborating with chemists and biologists.

Preferred is a PhD with 2+ years in drug discovery and deep experience with RDKit, ML models, and robust data infrastructure.