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Innovations and AI in drug development

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Innovations and AI in drug development

  

The Research Club Innovations and AI in drug development aims to promote academic discussion and advance knowledge on innovations and artificial intelligence applied to computer-aided drug design. Aimed at thesis and dissertation supervisors and their students interested in the field, the club seeks to foster the exchange of ideas among researchers at different stages of training, from postgraduate students to experienced professors.

Through critical analysis of recent and relevant works, the club seeks to keep participants up to date with trends and technological advances in the field, stimulate collaborations between different research groups, and guide the definition of new research projects. In addition, it provides a structured environment for developing presentation and scientific debate skills, which are essential for comprehensive academic training.

The club also serves as a space to discuss ethical and methodological issues in pharmaceutical AI research, preparing participants for the regulatory and scientific integrity challenges they will face in their careers. Discussions are expected to generate ideas to support final projects, dissertations and theses, as well as to enable the identification of knowledge gaps that may be explored in future research.

Criteria for paper selection

Papers must meet criteria of relevance and innovation, with current or potential impact on computer-aided drug design. They must be accessible, that is, understandable for the technical level of the group, and current, preferably from the last two to three years. The topic of AI in computer-aided drug design is preferred, but not exclusive. Diversity is important to cover different AI subfields throughout the year, as well as applicability, with potential for practical discussion and implementation in the pharmaceutical context.

Success metrics

The club’s success will be measured by a participation rate equal to or greater than eighty per cent per session, a monthly evaluation of the quality of discussions, and engagement between sessions through group discussions. We will also consider the practical application of knowledge by members in their work and research, as well as the expansion of the network of specialised contacts in pharmaceutical AI over the year.

Role responsibilities


Moderator

The moderator is responsible for coordinating the entire session dynamics over sixty minutes, preparing a discussion guide with three to five key questions. Their role includes ensuring that all participants have the opportunity to contribute, moderating debates while maintaining focus on the topic, and managing the timing of each session segment. After the meeting, they must prepare a one-page executive summary and send reminders about deadlines and upcoming sessions. The moderator receives the paper along with the other participants fifteen days before the session.

Presenter

The presenter is responsible for selecting the paper or article for discussion and sending it to all participants fifteen days before the session. This selection must align with the thematic focus established in the schedule for the corresponding month, ensuring coherence with the club’s curricular progression. The presenter must prepare a 15 to 20 minute presentation addressing the context and relevance of the work, main contributions and methodology, limitations and critiques, as well as connections with previous works discussed by the club. The presenter also prepares three provocative questions for discussion, must be prepared to answer detailed technical questions, and may suggest optional complementary readings. Their preparation deadline is at least thirty days before the session for selecting and sharing the material.

Participants

All participants have active responsibilities during sessions. Each member must make two critical observations about the presented work, identify and discuss methodological or conceptual limitations of the study, point out potential and future applications of the research, formulate relevant questions to the authors of the work or the presenter, and actively contribute to discussing the most relevant points raised during the session. Participants are expected to read the full material before the meeting and attend prepared for a constructive and academically rigorous debate.

Guest specialist

When applicable, the guest specialist brings a practical or industrial perspective on the topic, sharing implementation or related research experiences. They take part in a 10 to 15 minute Q&A session, contribute insights on future trends in the area, and may share additional contacts or resources when possible. Invitation criteria include being a professional with relevant experience in the topic, a researcher in the field, or a specialist in practical applications. The guest specialist may be external to the institution; in this case, the presentation will take place via digital platforms.

How it works

  • Duration: 12 months (September/2025 to August/2026)
  • Meetings: monthly, always on Thursdays
  • Minimum deadline for paper submission: 15 days before each session
  • Roles: rotating among group members

Session structure

  • 5 min – Opening (welcome, agenda and connection with previous sessions)
  • 20 min – Presentation by the presenter (context and key insights from the work)
  • 25 min – Structured discussion (moderated debate and critical analysis focused on applications)
  • 20 min – Presentation by the guest specialist (when applicable) + questions and answers
  • 5 min – Wrap-up and next steps (actions/readings and confirmation of the next session)

Schedule 2025-2026

Sep/2025

Best Practices for Using AI When Writing Scientific Manuscripts

Oct/2025

NLP in Pharmaceutical Literature

Nov/2025

Molecular Computer Vision

Dec/2025

Generative AI for Chemistry

 

Nov/2025

Jan/2026

Molecular Reinforcement Learning

Feb/2026

Ethics in Pharmaceutical AI

Mar/2026

Precision Medicine

Apr/2026

Therapeutic Recommendation Systems

May/2026

Explainable AI for Regulatory Purposes

Jun/2026

Federated Learning in Pharmaceuticals

Jul/2026

Mobile AI in Health

Aug/2026

The Future of Pharmaceutical AI

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