Director, AI-Driven Molecule Discovery

Tonix is a fully integrated biotechnology company, publicly traded on NASDAQ (ticker: TNXP), with marketed products and a pipeline of development candidates. The Company is focused on commercializing, developing, discovering, and licensing therapeutics to treat and prevent human disease. In August 2025, Tonix received FDA approval for Tonmya™ (cyclobenzaprine HCl sublingual tablets), a first‑in‑class, once‑daily, non‑opioid treatment for fibromyalgia. Tonmya is the first new fibromyalgia therapy approved in over 15 years, following successful Phase 3 trials demonstrating significant symptom improvement.

Commercial launch is expected in the fourth quarter of 2025. Tonix also markets Zembrace® Sym Touch® (sumatriptan injection) 3 mg and Tosymra® (sumatriptan nasal spray) 10 mg, both indicated for the treatment of acute migraine with or without aura in adults.

Tonix’s development portfolio includes product candidates in central nervous system (CNS), immunology, immuno‑oncology, infectious disease, and rare disease. The CNS pipeline features both small molecules and biologics to treat pain, neurologic, psychiatric, and addiction conditions. The immunology portfolio includes biologics to address organ transplant rejection, autoimmunity, and cancer. The infectious disease pipeline includes a vaccine in development to prevent smallpox and monkeypox, which also serves as a live virus vaccine platform for other infectious diseases.

Finally, rare disease portfolio includes a product in development for Prader‑Willi syndrome, which has both orphan drug designation and rare pediatric disease designation grants from the FDA.

Tonix owns and operates a state‑of‑the‑art infectious disease research facility in Frederick, Md.

Please visit  for specifics on the pipeline.

* All of Tonix’s product candidates are investigational new drugs or biologics and have not been approved for any indication.

About the Role:

The Director will lead the strategic development and application of artificial intelligence (AI) and computer‑aided drug design (CADD) to accelerate research and development s role will drive innovation across both small‑ and large‑molecule programs by integrating ligand‑ and structure‑based design with AI/ML to identify and optimize novel therapeutic candidates.

The Director will collaborate with chemists, biologists, data scientists, and software engineers to develop data‑driven strategies to advance Tonix’s pipeline on CNS, rare disease, immunology, and infectious disease. The position will also help build scalable AI infrastructure to support informed decision‑making across Tonix’s discovery portfolio. The Director will ensure that AI and computational initiatives align with Tonix’s organizational goals and research priorities, delivering impactful results that support both preclinical research and long‑term development objectives.

Key Responsibilities

• Define and implement Tonix’s computational and AI‑driven drug discovery strategy in alignment with company R&D priorities.
• Lead computational and AI‑enabled design initiatives to accelerate drug discovery and development.
• Develop and apply AI/CADD‑based approaches to target validation, hit‑to‑lead optimization, ADME/Tox profiling, and preclinical safety and efficacy assessment.
• Develop and integrate scalable AI/ML tools, data workflows, and high‑performance computing solutions to support Tonix’s discovery pipeline.
• Collaborate closely with chemists, biologists, pharmacologists, and informatics experts to translate computational insights into actionable experimental hypotheses.
• Contribute to publications, patents, and presentations that enhance Tonix’s scientific visibility in AI‑enabled drug discovery.

Qualifications

• Ph.D. in Pharmacology, Chemistry, Structural Biology, or a related discipline.
• 20 years of experience in drug design and discovery, including leadership in developing and applying AI/CADD approaches to advance programs from concept to clinical stage.
• Ligand‑based drug design expertise: AI/ML, QSAR, neural networks, pharmacophore modeling, de novo design, virtual screening, and ADME/Tox modeling.
• Structure‑based drug design expertise: sequence analysis,…