Data Scientist II, ML Expert

BioSpace; North Chicago (IL); On-site; USD 150,000 - 210,000; Full time

Benefits offered by this job

Paid time off

Medical insurance

401(k)

Job summary

AbbVie is seeking a scientist to conceive and implement novel experimental approaches, identify predictive methods for protein targets, and optimize pharmacological properties. You will collaborate across science disciplines to advance project goals and develop robust computational tools for drug discovery.

The role emphasizes communication of model rationale, rigorous benchmarking, and deploying ML/ cheminformatics solutions with Python and modern libraries in a collaborative environment.

Qualifications

• Bachelor's or equivalent in relevant field with 7+ years experience; Master's with 5+ years.
• Thorough theoretical and practical understanding of own scientific discipline.

Responsibilities

• Consult with project team to establish quantitative targets for driving optimization.
• Identify models to predict small molecule binding affinities and pharmacological properties.
• Build predictive models and benchmark performance and domain applicability.
• Select appropriate model for each query molecule using data-driven approaches.
• Communicate rationale for model selection to project team.

Skills

Python

Machine Learning

Deep Learning

Cheminformatics

Cloud Computing

GNN/GCNN/MPNN

Data Analysis

Model Evaluation

Education

Bachelor's degree in chemistry / computer science / machine learning / cheminformatics / chemical engineering

Master's degree in relevant field

Tools

NumPy

Pandas

scikit-learn

Cloud platforms

Job description

About AbbVie

AbbVie's mission is to discover and deliver innovative medicines and solutions that solve serious health issues today and address the medical challenges of tomorrow. We strive to have a remarkable impact on people's lives across several key therapeutic areas including immunology, oncology and neuroscience - and products and services in our Allergan Aesthetics portfolio. For more information about AbbVie, please visit us at www.abbvie.com. Follow @abbvie on LinkedIn, Facebook, Instagram, X and YouTube.

Company Description

AbbVie's mission is to discover and deliver innovative medicines and solutions that solve serious health issues today and address the medical challenges of tomorrow. We strive to have a remarkable impact on people's lives across several key therapeutic areas including immunology, oncology and neuroscience - and products and services in our Allergan Aesthetics portfolio. For more information about AbbVie, please visit us at www.abbvie.com. Follow @abbvie on LinkedIn, Facebook, Instagram, X and YouTube.

Job Description

Conceive and implement novel experimental approaches to answer scientific questions. Investigate, identify, develop, and optimize new methods and techniques. Contribute to project science in area of expertise. Develop productive collaborations and communications with other groups across science disciplines.

Responsibilities

• Consult with project team to establish quantitative targets for driving optimization
• Work with project team to identify suitable models to predict small molecule binding affinities for protein targets, and to predict pharmacological properties (PK parameters, etc.)
• Work with project team to build predictive models for each relevant endpoint, and carefully benchmark to evaluate performance and domain of applicability for each model
• Work with project team to identify the model that should be used for each project team query molecule, using data-driven approaches that take account of model uncertainty and heteroscedasticity
• Clearly communicate to the project team the rationale for model selection and why the selected models are best suited for the task at hand

Qualifications

• Bachelors Degree or equivalent education and typically 7+ years of experience, Masters Degree or equivalent education and typically 5+years of experience.Degree in relevant field (chemistry / computer science / machine learning / cheminformatics / chemical engineering) with experience developing machine learning models related to chemical and biological data, preferred.
• Possess thorough theoretical and practical understanding of own scientific discipline.
• Expertise with developing, implementing and deploying programs and computational solutions employing Machine Learning/Deep learning and Cheminformatics.
• Expertise in AI/ML-enabled molecular generation, pose prediction, affinity prediction and/or prediction of pharmacological properties (e.g. PK).
• Strong programming skills in Python and experience with data science stack including numpy, pandas, scikit-learn, and other related scientific libraries.
• Ability to implement, debug, and maintain computational tools in common programming languages (Python, etc) and proficiency with cloud computing capabilities.
• Familiarity with modern deep learning architectures including GNN, CNN, RNN, Transformer, GCNN and MPNN, and machine learning paradigms such as generative models, GAN, and active learning.
• Strong analytical and problem-solving skills with demonstrated ability to think critically and creatively, and provide solutions both individually and collaboratively with internal experts.
• Excellent ability to communicate clearly and concisely with colleagues and collaborators including an ability to explain complex ideas to non-specialists.

Additional Information

Applicable only to applicants applying to a position in any location with pay disclosure requirements under state or local law:

• The compensation range described below is the range of possible base pay compensation that the Company believes in good faith it will pay for this role at the time of this posting based on the job grade for this position. Individual compensation paid within this range will depend on many factors including geographic location, and we may ultimately pay more or less than the posted range. This range may be modified in the future.
• We offer a comprehensive package of benefits including paid time off (vacation, holidays, sick), medical/dental/vision insurance and 401(k) to eligible employees.
• This job is eligible to participate in our short-term incentive programs.

Note: No amount of pay is considered to be wages or compensation until such amount is earned, vested, and determinable. The amount and availability of any bonus, commission, incentive, benefits, or any other form of compensation and benefits that are allocable to a particular employer remains in the Company's sole and absolute discretion until and unless paid and may be modified at the Company's sole and absolute discretion, consistent with applicable law.

AbbVie is an equal opportunity employer and is committed to operating with integrity, driving innovation, transforming lives and serving our community. Equal Opportunity Employer/Veterans/Disabled.

US & Puerto Rico only – to learn more, visit https://www.abbvie.com/join-us/equal-employment-opportunity-employer.html

US & Puerto Rico applicants seeking a reasonable accommodation, click here to learn more: https://www.abbvie.com/join-us/reasonable-accommodations.html