Joel P. Arrais

Joel P. Arrais

Deep Learning | Drug Discovery | Computational Biology

Associate Professor at the Department of Informatics Engineering, University of Coimbra, and Researcher at CISUC. I lead research efforts in applying AI to solve complex biological challenges, specifically in molecular generation and genomic analysis.

Highlights

Publication in Nature Communications!

AI model for Enhancing kinase-inhibitor activity and selectivity. Joint work with Liu Huanxiang from MPU

In the news!

Our work was promoted by the main Portuguese media, such as Jornal Público, Jornal Observador and Jornal Expresso.

Three funded research projects!

CHAFT, VIBES and IA4FARMA projects funded!

Research interests

Drug–target prediction

Deep Learning models for prediction of Protein-Drug interactions.

Drug Generative models

Language models for de novo generation of SMILES of molecules with desired properties.

Genetic variants analysis

Analysis of genetic variants to find those associated with a specific trait or disease.

Pharmacogenomics

Computational models of how genetic profiles influence the effect of drugs.

Featured Publications

Complete and updated list of Publications

Team

Maryam Abbasi

Collaborator
Invited Adjunct Professor at Polytechnic Institute of Santarém

Maryam Abbasi
Yousef Khan

PhD student
AI-Driven Knowledge Graphs: Automating Adaptive Rule Discovery for Intelligent Systems

Yousef Khan
Sofia Monteiro

PhD student
Classifying Functional Impairments in Foot Clinic Patients using Plantar Pressure Distributions

Sofia Monteiro
Hayder Fadhil Ali

PhD student
Machine Learning Models for Predicting Biodegradability in Bio-Based Polyesters

Hayder Fadhil Ali
Mohammed Khedr

PhD student
Multi-agent framework for target-conditioned drug discovery.

Mohammed Khedr
Joaquim Santos

PhD student
Knowledge Graph for improved gene disease association

Joaquim Santos
Paulo Correia

PhD student
Interpretable SE(3)-Equivariant Models for Structure-Based Drug Discovery

Paulo Correia
Edgar Vicente

PhD student
Multi-Objective Alignment of Generative AI for the Design of Broad-Spectrum Antimicrobial Peptides

Edgar Vicente
Former PhD Students:

- Edgar Coelho, former PhD student, Lead Data Scientist at MarketerHire
- Fernanda Correia, former PhD student, Adjunct Professor at ISEP, IPC
- António Cruz, former PhD student, Researcher at CISUC, UC
- Nelson Monteiro, former PhD student, Data Scientist at Orbis Medicines
- Tiago Pereira, former PhD student, Researcher at CNC, UC
- Daniel Martins, former PhD student, Researcher at MIA, UC
- Luis Torres, former PhD student, Artificial Intelligence Scientist at Sanofi
- Anuschka da Silva Spínola, former PhD student, Researcher at CNC, UC
- Fabiano Papaiz, former PhD student, Professor at IFRN, Brazil
- Yanan Tian, former PhD student, Researcher
- Jianxiu Cai, former PhD student, Researcher

Research group photo
Interested in joining?

Email: jpa@uc.pt