Design and implement computational strategies to support hit identification, hit-to-lead, and lead optimization stages of small molecule drug discovery.

Collaborate closely with medicinal chemists, biologists, DMPK and AI/ML scientists to integrate computational insights into SAR design.

Apply a range of modeling techniques including structure-based drug design (SBDD), ligand-based modeling, molecular dynamics, and cheminformatics.

Analyze SAR data and generate predictive models to guide design hypotheses.

Contribute to target assessment and binding site evaluation for new project opportunities.

Maintain and develop internal modeling tools and workflows, and evaluate emerging computational technologies.

Communicate results and recommendations clearly in team meetings and project reports.

Ph.D. in computational chemistry, medicinal chemistry, structural biology, or a related discipline, with >5 years of industry experience in CADD.

Strong expertise in molecular modeling tools (e.g., Schrodinger Suite, MOE, AlphaFold2, etc.) and scripting languages (e.g., Python, R).

Experience in applying SBDD and ligand-based approaches in real-world drug discovery projects.

Familiarity with machine learning applications in drug design is a plus.

Excellent interpersonal and communication skills, and a collaborative mindset.

1. Build and Maintain AI-Powered Biomedical Knowledge Systems

Develop and maintain biomedical knowledge graphs by integrating data from literature, patents, chemical, and biological databases

Apply advanced OCR, and LLM models to automate the extraction, structuring, and summarization of drug discovery and development data

Design Retrieval-Augmented Generation (RAG) pipelines to support internal search and chatbot

2. Design AI Agents for Drug Discovery and Competitive Intelligence

Develop intelligent agents to assist in literature mining, competitive landscape analysis, target-disease linkage, and experimental design optimization

Construct intelligent compound and bioassay data management platforms to support medicinal chemistry and pharmacology teams

Enable AI-based reasoning capabilities to assist internal stakeholders in hypothesis generation and validation

3. Drive Integration of AI in Drug R&D Workflows

Collaborate closely with biology, chemistry, and clinical R&D teams to identify high-impact use cases and implement AI solutions

Deliver AI prototypes and tools that improve R&D efficiency, quality, and innovation

Required:

Master’s degree or above in Computer Science, Artificial Intelligence, Bioinformatics, Computational Biology, or a related field

2+ years of experience in AI/ML application development, preferably in the biomedical or pharmaceutical domain

Strong programming skills in Python; proficient with ML/DL frameworks such as PyTorch or TensorFlow

Practical experience with Retrieval-Augmented Generation (RAG), LLM-based architectures, or semantic search systems

Preferred:

Hands-on experience developing knowledge bases or knowledge graphs in the life sciences domain

Familiarity with biomedical data standards, ontologies, and medical/bioinformatics databases

Experience working with multi-modal data (text, image, structure) from public or proprietary drug discovery datasets

Background in cheminformatics, computational chemistry, or related fields is a strong plus

Design and oversee critical CMC studies for external project evaluations, ensuring robust experimental planning and data interpretation.

Manage and coordinate interactions with CROs, including study design, execution oversight, and results assessment to ensure material planning to meet timeline and quality requirement.

Work cross-functionally with internal teams (medicinal chemistry, biology, DMPK, toxicology, regulatory affairs, clinical development) to support CMC activities from preclinical candidate (PCC) selection to Phase 1/2 clinical trials.

Lead internal and external collaborations to ensure smooth progression of CMC activities, optimizing formulation development and manufacturing processes.

Provide guidance on pre-formulation and regulatory CMC requirements to ensure compliance with industry and regulatory standards.

PhD in pharmaceutical science or related discipline.

At least 3 years of industry experience in CMC development within a pharmaceutical or biotech company; candidates from relevant CRO backgrounds will also be considered.

Strong expertise in small molecule drug development, formulation sciences, and regulatory CMC guidelines. Experience managing cross-functional collaborations and external CRO partnerships.

Excellent communication, leadership, and project management skills.

Ability to navigate and conduct preliminary bench experiment to solve preform issues.

Design critical DMPK studies to evaluate external projects, guide CRO selection, manage external collaborations, and interpret experimental results.

Collaborate effectively with senior scientific advisors/consultants to provide expert insights for strategic decision-making.

Work closely with internal cross-functional teams, including chemistry, biology, DMPK, toxicology, CMC and regulatory colleagues, to optimize molecules from early discovery through IND enabling studies into Phase 1 clinical development.

Provide strategic and scientific leadership to advance internal R&D programs efficiently and successfully.

PhD in Pharmacokinetics, Drug Metabolism, Pharmaceutical Sciences, or a closely related discipline.

Minimum of 5 years of relevant industry experience in drug discovery and development, with extensive expertise in DMPK.

Proven ability to independently design and manage pivotal DMPK studies, analyze complex data, and effectively communicate results.

Excellent skills in collaboration, communication, and project management.

Experience working with CROs and managing external partnerships.

Patent Portfolio Development & Management

Strategize and execute global patent filings (including compound, salt, polymorph, formulation, combination, method-of-use, and synthesis patents) in alignment with R&D progress and corporate goals.

Draft, file, and prosecute patent applications in China and internationally (PCT, US, EP, JP, etc.).

Oversee the full patent lifecycle including Office Action responses, appeals, reexaminations, and maintenance fee management.

Coordinate with external patent agents and international counsel to ensure efficient and high-quality IP prosecution.

Freedom-to-Operate (FTO) & Risk Assessment

Lead comprehensive FTO and patentability analyses for preclinical and clinical-stage assets.

Assess infringement risks, propose mitigation strategies, and provide timely recommendations to R&D and BD teams.

Monitor third-party IP landscape and competitive filings; identify white space for new filings or in-licensing opportunities.

IP Due Diligence & Transaction Support

Support BD activities by conducting IP due diligence and evaluating IP risks and opportunities in licensing, collaboration, and acquisition deals.

Draft and negotiate IP-related clauses in contracts, including license agreements, MTAs, and joint development agreements.

Collaborate with external partners to manage IP terms throughout the collaboration lifecycle.

IP Strategy & Governance

Design and implement IP strategies across therapeutic programs; ensure alignment with scientific, regulatory, and commercial objectives.

Develop internal SOPs for IP management; lead internal training to enhance team awareness of IP practices and compliance.

Support corporate IP audits, government reviews, and regulatory filings with respect to intellectual property.

Internal Collaboration & Invention Mining

Partner closely with scientists across medicinal chemistry, CMC, DMPK, and biology to identify patentable inventions.

Guide scientists through invention disclosure processes and provide patent education as needed.

Contribute to cross-functional strategic decisions by providing IP insights.

Advanced degree in Chemistry, Pharmaceutical Sciences, or a related field; PhD preferred.

Qualification as a Patent Attorney or Agent in China (CNCIPA), US (USPTO), or Europe (EPO) is highly desirable.

Strong background in small molecule patents with experience in FTO, prosecution, due diligence, and portfolio strategy.

Excellent analytical, communication, and negotiation skills with cross-functional collaboration experience.

Fluent in written and spoken English.

Design and oversee key medicinal chemistry strategies to evaluate external projects, ensuring optimal experimental design and data interpretation.

Lead interactions with CROs, including study design, execution, oversight, and results assessment.

Collaborate with senior scientific advisors/consultants to refine strategies and guide SAR design and decision-making.

Work cross-functionally with internal teams (DMPK, biology, toxicology, CMC, patent and regulatory affairs) to optimize SAR from discovery through clinical candidate. Experienced with IND-enabling studies.

Provide scientific and strategic leadership to advance internal R&D programs efficiently and effectively.

PhD in Medicinal Chemistry, Organic Chemistry, or a related discipline.

At least 5 years of relevant industry experience in drug discovery and development, with extensive expertise in medicinal chemistry.

Proven ability to design and manage complex medicinal chemistry programs, analyze structure-activity relationships (SAR), and guide lead optimization.

Experience working with CROs and managing external collaborations.

Strong collaboration, communication, and project management skills.

Target nomination and validation for drug discovery project.

Design and establishment of compound evaluation platform.

Internal and external collaboration with cross-function team.

PhD in immunology, oncology, or related field with at least 2-5 years of industry experience.

Deep knowledge in immunology and/or oncology.

Experience in target search, evaluation, and nomination for innovative pipeline of immunology or oncology.

Proficiency with enzymatic and binding assay (ADP-Glo/ELISA/HTRF/AlphaLISA), cellular reporter and immune cell differentiation assay, shRNA/CRISPR-based gene manipulation, standard immunology assays including multi-color flow cytometry, ELISpot, cytokine profiling (MSD/Luminex/ELISA).

Proven ability in critical thinking, problem solving and working experience with cross-functionally team in a fast-paced environment. Experience with CRO management is a plus.

Excellent organizational, written and oral communication skills, efficient time management.

Assay development for drug discovery project.

Data generation and analysis for compound evaluation.

Laboratory set-up and management.

Master in immunology, oncology, or related field with 3-6 years of industry experience.

Extensive expertise with enzymatic and binding assay (ADP-Glo/ELISA/HTRF/AlphaLISA), cellular reporter and immune cell differentiation assay, shRNA/CRISPR-based gene manipulation, standard immunology assays including multi-color flow cytometry, ELISpot, cytokine profiling (MSD/Luminex/ELISA).

Strong data analysis capability, including experiment design, assay troubleshooting, data processing, interpretation, and presentation.

Excellent organizational, written and oral communication skills, efficient time management.

Design and oversee key toxicology studies for external project evaluations, ensuring robust experimental design and data interpretation.

Lead interactions with CROs, including study design, execution oversight, and results assessment and interpretation.

Collaborate with senior scientific advisors/consultants to refine safety strategies and provide expert toxicology insights for decision-making.

Work cross-functionally with internal teams (medicinal chemistry, DMPK, biology, CMC and regulatory affairs) to provide toxicology evaluation and insights from discovery through IND-enabling studies and Phase 1 clinical development.

Provide scientific and strategic leadership in toxicology to support both internal R&D and external BD initiatives.

PhD in Toxicology, Pharmacology, or related disciplines.

At least 5 years of relevant industry experience in preclinical toxicology and early clinical patient safety, with a strong understanding of regulatory and investigative toxicology principles.

Proven ability to design and manage pivotal toxicology studies, analyze complex safety data, and interpret and effectively communicate results.

Experience working with CROs and managing external collaborations.

Strong collaboration, communication, and project management skills.