# Shangqian Chen

Email: hi@emm.sh  
GitHub: https://github.com/ShangChien

## Profile

Algorithm prototyping engineer working on AI molecular research, computational chemistry, and molecular informatics platforms since April 2024. I have end-to-end engineering experience across algorithm prototypes, backend services, database design, frontend interaction, online deployment, and private delivery.

I mainly work on Uni-QSAR, ADMET, Uni-PK, ToxScan, NMR-Solver, and a molecular structure search database, serving as a core developer and platform owner. I am familiar with Python, RDKit, PostgreSQL, Web API design, task orchestration, authentication, MCP tool services, frontend development, and enterprise delivery workflows, and can independently turn research algorithms into commercializable platforms.

## Skills

- Python backend development, API design, task orchestration, data processing, model service wrapping, and system integration.
- RDKit, molecular structure processing, crystal structure data, DFT workflows, feature matching, and format conversion.
- PostgreSQL schema design, indexing, performance tuning, molecular similarity search, substructure search, and chemical feature matching.
- Frontend interaction, research platform workflows, authentication, IAM tenant architecture, MCP tool services, and private deployment.

## Work Experience

### Algorithm Prototyping Engineer

DP Technology｜2024.04 - Present

Responsible for the development, construction, deployment, and commercialization support of AI drug discovery and computational chemistry platforms, participating in the full process from prototype validation to platform delivery.

- Developed and iterated Uni-QSAR, ADMET, Uni-PK, ToxScan, NMR-Solver, and related platforms, turning algorithm tools into interactive, callable, and deployable products.
- Built frontend interaction flows to improve molecule upload, task submission, result review, and data analysis experiences for research users.
- Developed backend databases and APIs covering task management, data storage, result queries, and user permission management.
- Participated in MCP tool service development, exposing platform capabilities to agents and external systems.
- Led or deeply contributed to a molecular structure search database supporting similarity search, substructure search, and complex chemical feature matching.
- Worked with customer-specific research requirements, technical validation, private deployment, and delivery support.

## Projects

- Uni-QSAR automated quantitative structure-activity relationship modeling platform.
- ADMET molecular property prediction platform.
- Uni-PK pharmacokinetic simulation platform.
- ToxScan toxicity prediction platform.
- NMR-Solver platform.
- PostgreSQL + RDKit molecular structure search database.

## Commercialization and Delivery

Capabilities include Bohr photon billing support, VIP License authorization, trial-domain applications, authentication and permission management, private deployment, customer environment adaptation, issue diagnosis, platform validation, and delivery documentation.

Customers supported include Huadong Medicine, Renhe Yikang, LONGi Green Energy, Wanhua Chemical, and Capital Medical University.

## Education

### Soochow University

M.S. in Materials Science and Engineering｜2018.09 - 2021.06

### Yancheng Institute of Technology

B.S. in New Energy Materials and Devices｜2014.09 - 2018.06

## Publications and Patents

Participated in 9 academic publications and 10 published or granted patents/design patents across pharmacokinetics, organic semiconductor representation learning, molecule structure recognition, force-field parametrization, molecular property prediction, computational materials research, OLED materials, phosphors, and silver nanowires.