Computational Biology and Cheminformatics Expert for AI Training

SaidGig; New York (NY); Remote; USD 110,000 - 152,000; Part time

Job summary

SaidGig is seeking an expert in computational biology and cheminformatics to support an AI-driven drug discovery project. You will analyze small-molecule datasets, curate public sources like ChEMBL and DrugBank, and guide SAR/ADMET evaluations by integrating multi-source data.

Emphasis on reproducible pipelines and rigorous review of AI outputs. Remote contract engagement with compensation ranging $80–$110 per hour.

Qualifications

• Advanced expertise in computational biology, cheminformatics, medicinal chemistry, biochemistry, or a related field.

Responsibilities

• Analyze and interpret small-molecule and drug discovery datasets using computational biology, bioinformatics, and cheminformatics methods.
• Curate, annotate, and validate chemical and biological datasets, including sources such as ChEMBL, PubChem, and DrugBank.
• Evaluate compound-target interactions, ADMET properties, and lead-optimization approaches by integrating chemical, biological, and clinical data.
• Provide scientific guidance on structure-activity and structure-property relationships, medicinal chemistry methods, and experimental-design considerations.
• Build code-based benchmark tasks reflecting real computational drug discovery work.
• Create reproducible Docker environments and automated testing pipelines to verify task correctness and solvability.
• Review AI-generated outputs for scientific rigor, accuracy, and practical relevance, then provide written feedback and recommendations.

Skills

Computational biology

Cheminformatics

Medicinal chemistry

Biochemistry

Python programming

Git

GitHub

Docker

Automated testing

Small-molecule drug discovery

Molecular docking

SAR

QSAR

ADMET prediction

Virtual screening

Scientific communication

Multidisciplinary projects

AI-assisted coding tools

Education

PhD

MSc

PharmD

Tools

RDKit

KNIME

Schrödinger

OpenEye

MOE

Job description

Role Overview

Apply computational biology and cheminformatics expertise to support an AI-driven computational drug discovery project. Your scientific input will help train and evaluate next-generation AI systems through realistic datasets, benchmark tasks, and detailed technical feedback. Prior AI experience is not required.

Key Responsibilities

• Analyze and interpret small-molecule and drug discovery datasets using computational biology, bioinformatics, and cheminformatics methods.
• Curate, annotate, and validate chemical and biological datasets, including sources such as ChEMBL, PubChem, and DrugBank.
• Evaluate compound-target interactions, ADMET properties, and lead-optimization approaches by integrating chemical, biological, and clinical data.
• Provide scientific guidance on structure-activity and structure-property relationships, medicinal chemistry methods, and experimental-design considerations.
• Build code-based benchmark tasks, including terminal or command-line environments, that reflect real computational drug discovery work.
• Create reproducible Docker environments and automated testing pipelines to verify task correctness and solvability.
• Review AI-generated outputs for scientific rigor, accuracy, and practical relevance, then provide written feedback and recommendations.

Qualifications

• Advanced expertise in computational biology, cheminformatics, medicinal chemistry, biochemistry, or a related field.
• A PhD, MSc, or PharmD is highly valued but not required.
• Strong Python programming ability beyond analysis scripts, including experience building tools, pipelines, or testable code.
• Hands-on familiarity with Git, GitHub, Docker, and automated testing.
• Experience with cheminformatics tools such as RDKit, KNIME, Schrödinger, OpenEye, or MOE.
• Demonstrated experience in small-molecule drug discovery, molecular docking, SAR or QSAR evaluation, ADMET prediction, or virtual screening workflows.
• Comfort working with public chemical and bioactivity databases and combining diverse datasets for scientific analysis.
• Ability to communicate complex chemical and biological concepts clearly in written reports and feedback.
• Experience on multidisciplinary or remote projects is preferred.
• Familiarity with AI-assisted coding tools is a plus.

Work Terms

Remote contract engagement. Compensation$80 to $110 per hour.