Computational Chemist with AI Experience in Drug Discovery

Computational Chemist With AI Experience In Drug Discovery

Location: Ballwin, MO (On Site)

Type: Full-Time

At Humanwell Pharmaceutical US, we're pioneering the frontier of healthcare by leveraging artificial intelligence and machine learning to revolutionize drug discovery. Our mission is to accelerate the pace at which therapeutic solutions reach those in need, through cutting-edge technology and innovation. We are seeking a highly skilled and innovative Computational Chemist with experience in artificial intelligence (AI) to join our drug discovery team. The successful candidate will apply computational chemistry techniques and AI methodologies to support the discovery and optimization of new drug candidates, focusing on pharmacokinetics (PK) and ADME (absorption, distribution, metabolism, and excretion) properties. This role is ideal for someone passionate about making a tangible impact in the healthcare industry through the application of AI and ML technologies.

Key Responsibilities:

• Develop and apply AI/ML models for structure-based and ligand-based drug design.
• Use computational chemistry and AI tools to predict and optimize PD/PK properties.
• Design AI algorithms to identify novel drug candidates and understand their mechanisms.
• Integrate PK data with computational models for better drug candidate selection.
• Develop and validate PK models to predict drug behavior in various biological systems.
• Analyze and interpret PK/PD data using advanced statistical and modeling software.
• Help in preparation and reviewing PK study protocols, reports, and regulatory submission documents.
• Collaborate with medicinal chemists, PD/PD scientists, and bioinformaticians on drug discovery projects.
• Analyze large datasets to extract insights and inform decisions.
• Prepare and review scientific reports, publications, and presentations.
• Stay updated with advancements in computational chemistry, AI, and PK modeling.
• Contribute to the development of new computational tools and methodologies.
• Work with cross-functional teams to integrate datasets for model training and validation.
• Stay current with AI/ML technologies in drug discovery and propose innovative solutions.
• Conduct data mining and predictive analysis on biological, chemical, and clinical datasets.
• Evaluate and interpret model predictions to guide experiments and generate hypotheses.
• Present findings to both technical and non-technical stakeholders.
• Participate in scientific discussions and strategy meetings, offering AI/ML expertise.
• Author scientific papers, reports, and patents related to AI/ML in drug discovery.
  
  
  

Qualifications:

Education:

• Ph.D. or Master’s degree in Computational Chemistry, Computational Biology, Medicinal Chemistry, Pharmaceutical Sciences or a related field.
  
  
  

Experience:

• For Ph.D. holders: 0-3 years of relevant experience in computational chemistry, AI, and drug discovery.
• For Master’s degree holders: 3-5 years of relevant experience in computational chemistry, AI, and drug discovery.
• Proven experience in developing and applying computational chemistry and AI/ML models in the pharmaceutical or biotechnology industry.
• Experience with computational chemistry software (e.g., Schrödinger, MOE, AMBER, GROMACS) and AI/ML frameworks (e.g., TensorFlow, PyTorch, Scikit-learn).
  
  
  

Skills:

• Proficiency in computational chemistry techniques and creating advanced AI/ML models for drug design and biological data analysis, including Large Language Models for biology, de novo drug design with Generative AI, geometric deep learning, and structure-based bioactivity prediction.
• Proficiency in Python, C++, or similar languages, with experience in AI/ML frameworks such as CUDA, TensorFlow, and PyTorch.
• Understanding of protein structure, protein engineering, molecular biology, genomics, and chemical informatics.
• Ability to work effectively in multidisciplinary teams, demonstrating excellent communication and problem-solving skills.
• Self-motivated and passionate about staying current with computational chemistry and the latest AI/ML technologies and their applications in drug discovery.
• Strong analytical and problem-solving abilities.
• Solid understanding of pharmacodynamics, pharmacokinetics, and ADME processes.
• Excellent written and verbal communication skills.
• Detail-oriented with strong organizational and project management skills.
• Knowledge of regulatory guidelines and requirements related to drug development.
• Experience with cloud computing platforms (e.g., AWS, Azure) for large-scale data analysis is a plus.
• Publications or presentations in the field of computational chemistry, AI, and PK is a plus..
  
  
  

What We Offer:

• A dynamic and supportive work environment where innovation and creativity are encouraged.
• The opportunity to be part of a company driving groundbreaking advancements in drug discovery.
• Competitive salary and benefits package, including health insurance, retirement plans, and stock options.
• Flexible working hours and the possibility for remote work.
• Continuous learning and development opportunities to enhance your skills and career growth.
  
  
  

How to Apply: Please submit your resume/CV along with a cover letter explaining your interest in the position and how your experience aligns with our needs. Include examples of past projects or contributions to the field of AI drug discovery, if applicable.

Humanwell Pharmaceutical US is an equal opportunity employer. We celebrate diversity and are committed to creating an inclusive environment for all employees.