Senior Director, Cheminformatics & AI-Driven Drug Discovery

Discover International; Massachusetts; On-site; USD 170,000 - 230,000; Full time

Job summary

Discover International is seeking a Director/Senior Director of Cheminformatics & Applied AI to lead computational chemistry, cheminformatics, ML, and AI in small-molecule drug discovery. The role focuses on hit identification, hit-to-lead, lead optimization, and strategic discovery decisions.

The ideal candidate combines deep technical expertise with a proven track record translating new technologies into tangible research outcomes across multidisciplinary teams.

Qualifications

• PhD in Cheminformatics, Computational Chemistry, Computer Science, Chemical Engineering, Pharmaceutical Sciences or related field with 4+ years of industry experience.
• Demonstrated experience applying computational or AI/ML approaches to drug discovery.
• Strong understanding of small-molecule discovery and medicinal chemistry principles.
• Experience working in multidisciplinary pharmaceutical or biotechnology environments.

Responsibilities

• Lead the development and application of cheminformatics, machine learning, and AI methods for drug discovery.
• Develop computational strategies for hit discovery and optimization across screening and virtual screening approaches.
• Apply AI/ML to complex chemical and biological datasets to generate predictive models, actionable insights, and testable hypotheses.
• Evaluate and implement emerging technologies in AI, generative chemistry, molecular modeling, and data science.
• Partner with medicinal chemistry, computational chemistry, biology, biophysics, ADME, and data science teams.
• Provide scientific direction across multiple discovery programs and influence research strategy and priorities.
• Build external collaborations with academic groups, biotech firms, technology providers, and CROs.
• Mentor and develop computational scientists and contribute to building high-performing teams.
• Communicate scientific strategy, results, and recommendations to senior leadership.

Skills

Python

SQL

AI/ML

Drug discovery

Education

PhD in Cheminformatics/Computational Chemistry/CS/ Chemical Eng/ Pharmaceutical Sciences

MS/BS with 8+ years experience

Tools

RDKit

OpenEye

PyTorch

scikit-learn

Job description

Discover International is seeking a Director/Senior Director of Cheminformatics & Applied AI to lead computational chemistry, cheminformatics, ML, and AI in small-molecule drug discovery. The role focuses on hit identification, hit-to-lead, lead optimization, and strategic discovery decisions.

The ideal candidate combines deep technical expertise with a proven track record translating new technologies into tangible research outcomes across multidisciplinary teams.