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Job description
The Senior Scientist in AI and Computational Chemistry will be a key role in shaping up the AI-enabled Drug Discovery (AIDD) project that aims at the total drug discovery solution from design to delivery. You will work closely with other scientists to build the key analysis and prediction modules used in a SaaS-based drug design solution employing the artificial intelligence and machine‑learn techniques as well as other algorithmic approaches, and work with the reaction automation team to support the link between drug‑design and drug‑delivery.
In this role, you will be typically involved in activities, such as:
Building the computational chemistry engine for drug discovery purposed based on ML/AL and other procedural algorithms
Curating large structure‑activity‑relationship (SAR) datasets and building predictive models from them
Keeping up with the latest development in computational chemistry and machine‑driven drug discovery in publications to improve the existing products based on them
Applying ML/AL on the traditional computational chemistry approaches in molecular mechanics, molecular dynamics, protein folding, etc.
Documenting data, data curation and model building processes
Working closely with the product team for supporting their needs in ChemInformatics
Analyzing complex problems in AIDD and articulating solution ideas based on ChemInformatics and AI/ML approaches
Working with potential customers or business team to craft solutions for business needs
Providing proof‑of‑concepts for testing out ideas and communicating ideas with the solution team
Following an agile development approach in building PoC and core modules
Who You Are:
Have an excellent working knowledge in computational chemistry, and drug‑discovery process, and ChemInformatics
Be familiar with tools for data science, such as data analysis, data processing, statistics, AI/ML, etc., and be able to use those tools to create working PoC for demonstration purposes, which implies practical and in‑depth programming skills in Python, Java, JavaScript, C++, etc.
Be able to build AI/ML models for SAR endpoints starting from raw data
Be curious and innovative with a strong desire to revolutionize the drug‑discovery process
Be able to work with AIDD customers to extract their needs and design solutions from them
Be an excellent verbal and written communicator
Work collaboratively with others within the team and across teams
Preferably familiar with the agile development process
Minimum Qualifications:
Ph.D. in biology, chemistry or related area
At least 2 years of industry and domain experience
Or a BS + 5 years of industry or domain experience
Or Masters + 3 years of industry or domain experience
Location: Remote flexible; Burlington, MA; hybrid preferred
Travel: <10%
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Worksite address
burlington, MA, 01805, US
Who can apply
Review the original listing for work authorization, qualifications and employer requirements.