Top 49 Scientist cheminformatics Jobs

Research Senior Scientist, Cheminformatics
Takeda Pharmaceutical —Boston, MA
- $137,000 - $215,270 a year
- Computer Science
- Doctor of Philosophy
- Senior level
- Paid holidays
- Disability insurance
Bioinformatics Scientist
Sciome LLC —Research Triangle Park, NC
- Full-time
- Computer Science
- English
- Mid-level
- Disability insurance
- Relocation assistance
Quick Apply
Head of Automated Small Molecule Synthesis
Takeda Pharmaceutical —Boston, MA
- $177,000 - $278,080 a year
- Full-time
- Bachelor of Science
- Bachelor's degree
- Doctor of Philosophy
- Paid holidays
- Disability insurance
Principal Computational Scientist, Discovery Chemistry
Genentech —San Francisco, CA
- $144,900 - $269,100 a year
- Online Application
- Computer Science
- Doctor of Philosophy
- Organizational skills
Research Scientist - Computational Chemistry
Monarch —Oakland, CA
- $150,000 - $185,000 a year
- Full-time
- 7 years
- Doctor of Philosophy
- Senior level
Quick Apply
Scientist II, Discovery Chemistry and Automation (Parallel Synthesis)
Valo Health —Lexington, MA
- $123,250 - $145,000 a year
- 6 years
- Bachelor of Science
- Bachelor's degree
- Retirement plan
Machine Learning Scientist/Senior Machine Learning Scientist - Synthesis Planning and Optimization, AI for Drug Discovery
Genentech —San Francisco, CA
- $147,600 - $297,300 a year
- Online Application
- Doctor of Philosophy
- Software development experience
- Senior level
Staff CADD Scientist
Chemify Ltd —San Diego, CA
- Remote
- 8 years
- Doctor of Philosophy
- Travel
Quick Apply
Machine Learning Scientist/Senior Machine Learning Scientist - Agents for Applied Small Molecule Drug Design, AI for Drug Discovery
Genentech —San Francisco, CA
- $147,600 - $310,800 a year
- Online Application
- Computer Science
- Doctor of Philosophy
- Senior level
Sr Associate Scientist I or II, Medicinal Chemistry
Iambic Therapeutics, Inc —San Diego, CA
- $84,000 - $120,000 a year
- Full-time
- Bachelor of Science
- 3 years
- Bachelor's degree
- Flexible spending account
- 401(k) matching
Data Science, Cheminformatics & AI: Lab-in-the-Loop Hit Finding
Novartis —San Diego, CA
- $138,600 - $257,400 a year
- Full-time
- Computer science
- SQL
- Doctor of Philosophy
- Health insurance
- 401(k) matching
Staff Scientist - College of Pharmacy
University of Minnesota —Minneapolis, MN
- Online Application
- Background check
- University
- Doctor of Philosophy
5d
Translational Science Interagency Postdoctoral Fellowship (Cheminformatics/AI-ML)
National Institutes of Health —Bethesda, MD
- Full-time
- Background check
- Computer Science
- 3 years
Research/Sr. Research Investigator, Computational Chemistry
Incyte Corporation —Wilmington, DE
- Analysis skills
- Doctor of Philosophy
- Senior level
CADD Scientist / Senior CADD Scientist
Chemify Ltd —San Diego, CA
- 5 years
- Doctor of Philosophy
- Travel
Quick Apply
AI Research Scientist — Agentic AI for Materials Discovery
Meta —Pasadena, CA
- $184,000 - $257,000 a year
- Computer science
- Computer Science
- Bachelor's degree
Principal Scientist, Computational Chemistry
Cytokinetics —San Francisco, CA
- $202,500 - $236,250 a year
- Full-time
- 11+ years
- Doctor of Philosophy
- Mentoring
Applied ML Scientist - Chemistry
Hexion Inc. —Columbus, OH
- 18 years or older
- Computer Science
- 5 years
Computational Toxicologist
Sciome —Research Triangle Park, NC
- Email
- Computer Science
- English
- Master's degree
Director, Analytical Chemistry
Moderna, Inc. —Cambridge, MA
- $167,000 - $300,700 a year
- Full-time
- Doctor of Philosophy
- Senior level
- Leadership
- Health insurance
- Paid time off

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Research Senior Scientist, Cheminformatics

Takeda Pharmaceutical -
Boston, MA

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Job Details

$137,000 - $215,270 a year

Benefits

Paid holidays
Disability insurance
Health insurance
Dental insurance
Tuition reimbursement
Paid time off
Vision insurance
401(k) matching
Volunteer time off
Life insurance

Qualifications

AI models
Doctor of Computational Chemistry
Computational research
Computer Science
Predictive modeling analysis
Automation
Tooling
R
In silico prediction
AI tools proficiency
Process design
Simulation modeling (chemistry)
Reporting and dashboarding tools
Doctoral degree in Computer Science
Programming languages
Machine intelligence
Drug discovery
C
Doctor of Philosophy
Pharmaceutical company experience
Scalability
Chemistry
Machine learning (ML) fundamentals
Data visualization
Predictive analytics projects
Senior level
Pharmaceutical research experience
Leadership
2 years
Data visualization projects

Full Job Description

By clicking the “Apply” button, I understand that my employment application process with Takeda will commence and that the information I provide in my application will be processed in line with Takeda’s Privacy Notice and Terms of Use. I further attest that all information I submit in my employment application is true to the best of my knowledge.

Job Description

Objective / Purpose:

We are seeking a skilled cheminformatic scientist to join Takeda’s cheminformatics team. This role will be key to fostering a “prediction-first” culture, integrating cheminformatics, computational chemistry, and machine learning to accelerate drug design. The candidate will collaborate closely with global teams in medicinal chemistry, DMPK, and AI/ML, defining a roadmap for computational tools that empower medicinal chemists to drive innovation.

Accountabilities:

Design, automate and deploy cheminformatics workflows and visualization dashboards to support drug discovery projects.
Identify opportunities throughout the DMTA cycle where predictive tools can drive acceleration. Build predictive models for molecule design and optimization. Extract medchem design knowledge from large-scale chemical and biological datasets.
Stay updated with emerging trends in computational chemistry and machine learning as applied to drug discovery. Implement and execute innovative computational methodologies and tools such as AI-based drug discovery, generative chemistry, synthesizable chemical space exploration, DNA Encoded Library (DEL) data analysis and DEL/ML application.
Serve as a trusted thought partner, helping to drive ideation and execution of innovative chemistry strategies that meet Takeda’s therapeutic goals.

Education & Competencies (Technical and Behavioral):

PhD in Computational Chemistry, Cheminformatics, Computer Science or related disciplines, with 2+ years of experience in pharmaceutical or biotech setting.
Solid programming and scripting capabilities (e.g., Python, R, C/C++) with a proven ability to design and automate scalable computational workflows. Strong expertise in cheminformatics toolkits such as RDKit
Comprehensive knowledge of the DMTA cycle with demonstrated success in deploying predictive tools across the design process. Experience leading strategic initiatives to accelerate DMTA cycle.
Experience with DEL data analysis and Multi-task DL method is a strong plus.

ADDITIONAL INFORMATION

The position will be based in Cambridge, MA

Takeda Compensation and Benefits Summary

We understand compensation is an important factor as you consider the next step in your career. We are committed to equitable pay for all employees, and we strive to be more transparent with our pay practices.

For Location:

Boston, MA

U.S. Base Salary Range:

$137,000.00 - $215,270.00

The estimated salary range reflects an anticipated range for this position. The actual base salary offered may depend on a variety of factors, including the qualifications of the individual applicant for the position, years of relevant experience, specific and unique skills, level of education attained, certifications or other professional licenses held, and the location in which the applicant lives and/or from which they will be performing the job. The actual base salary offered will be in accordance with state or local minimum wage requirements for the job location.

U.S. based employees may be eligible for short-term and/ or long-term incentives. U.S. based employees may be eligible to participate in medical, dental, vision insurance, a 401(k) plan and company match, short-term and long-term disability coverage, basic life insurance, a tuition reimbursement program, paid volunteer time off, company holidays, and well-being benefits, among others. U.S. based employees are also eligible to receive, per calendar year, up to 80 hours of sick time, and new hires are eligible to accrue up to 120 hours of paid vacation.

EEO Statement

Takeda is proud in its commitment to creating a diverse workforce and providing equal employment opportunities to all employees and applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, gender expression, parental status, national origin, age, disability, citizenship status, genetic information or characteristics, marital status, status as a Vietnam era veteran, special disabled veteran, or other protected veteran in accordance with applicable federal, state and local laws, and any other characteristic protected by law.

Locations

Boston, MA

Worker Type

Employee

Worker Sub-Type

Regular

Time Type

Job Exempt

Yes

It is unlawful in Massachusetts to require or administer a lie detector test as a condition of employment or continued employment. An employer who violates this law shall be subject to criminal penalties and civil liability.

Apply Now

Refine Your Search

scientist cheminformatics jobs

Research Senior Scientist, Cheminformatics

Bioinformatics Scientist

Head of Automated Small Molecule Synthesis

Principal Computational Scientist, Discovery Chemistry

Research Scientist - Computational Chemistry

Scientist II, Discovery Chemistry and Automation (Parallel Synthesis)

Machine Learning Scientist/Senior Machine Learning Scientist - Synthesis Planning and Optimization, AI for Drug Discovery

Staff CADD Scientist

Machine Learning Scientist/Senior Machine Learning Scientist - Agents for Applied Small Molecule Drug Design, AI for Drug Discovery

Sr Associate Scientist I or II, Medicinal Chemistry

Data Science, Cheminformatics & AI: Lab-in-the-Loop Hit Finding

Staff Scientist - College of Pharmacy

Translational Science Interagency Postdoctoral Fellowship (Cheminformatics/AI-ML)

Research/Sr. Research Investigator, Computational Chemistry

CADD Scientist / Senior CADD Scientist

AI Research Scientist — Agentic AI for Materials Discovery

Principal Scientist, Computational Chemistry

Applied ML Scientist - Chemistry

Computational Toxicologist

Director, Analytical Chemistry

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