COntact

Meet the team

Scientific founder depth, platform execution, and commercialization support for AI4Science therapeutics.

Founder & Chief Scientific Officer

X. Simon Wang, PhD

Professor, Howard University College of Pharmacy

Director, AIDD Core Laboratory DC CFAR

  • Published Pose Filter Ensemble AI methodology and applied it to FXR agonist discovery

  • Trusted scientific reviewer and subject-matter expert for NIH, NSF, NASA, DOE, and DHS.

  • Deep track record in AIDD, GPCRs modeling, virtual screening, and modern drug discovery.

  • Consultant to the Federal Reserve Board on emerging AIDD capabilities and strategic applications in 2025.

Co-Founder & Chief Technology Officer

Heather Noriega, PhD

Pharmaceutical sciences, molecular modeling, AAV capsid design, HER2 biologics, and ADC workflows

  • Leads AI4Science workflow translation, technical coordination, and investor-ready platform materials.

  • Coordinates small molecule, biologics, and ADC workflow logic into reviewable outputs.

  • Builds technical bridge between founder science, implementation, and diligence materials.

Co-founder & Business / Strategy Advisor

James Bo

Commercialization, partnership positioning, and investor-readiness support

  • Strategy and innovation leader with more than 20 years of experience.

  • Supports partnership positioning, investor readiness, and BD strategy.

  • Helps translate the platform into buyer, market and financing narratives.

proof-of-concept

Relevant founder publication foundation

Selected research base supporting SynAgentics’ AI4Science, AIDD, biologics / ADC, and translational discovery narrative.

01

AIDD / Small-Molecule Methods

• Target-specific Pose Filter Ensembles to boost ligand enrichment — J. Chem. Inf. Model. 2017; DOI 10.1021/acs.jcim.6b00749

• Pose Filter–based ensemble learning for orally active FXR agonists — J. Chem. Inf. Model. 2020; DOI 10.1021/acs.jcim.9b01030

• Benchmarking datasets / virtual-screening validation foundations — HDAC and chemokine receptor benchmark work

02

Therapeutic Discovery Examples

• HDAC3 inhibitors via virtual screening — J. Enzyme Inhib. Med. Chem. 2018

• Virtual screening against PGK1 for apoptosis-inhibitor candidates — Molecules 2017; DOI 10.3390/molecules22061029

• PTP1B inhibitors via structure-based design and bioassay — Bioorganic Chemistry 2019; PubMed 30716620

03

AI4Science / biologics / ADC relevance

• AI-driven ADC design mini-review — Frontiers in Drug Discovery 2025; DOI 10.3389/fddsv.2025.1628789

• HER2 mAb PEG chain dynamics / biologics modeling — ACS Omega 2025; DOI 10.1021/acsomega.5c08654

• AAV / capsid AI publications and preprint foundation — Frontiers in AI 2025; DOI 10.3389/frai.2025.1559461; Preprints 2026 DOI 10.20944/preprints202602.1542.v1

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