arXiv AI

Agentic Discovery of Non-Canonical Antimicrobial Peptides with AMPGAN v3

arXiv:2606. 17127v1 Announce Type: cross Abstract: Antimicrobial resistance causes to over a million deaths annually.

arXiv Machine Learning
Jun 25

OmegAMP: Targeted AMP Discovery via Biologically Informed Generation

arXiv:2504. 17247v3 Announce Type: replace Abstract: Deep learning-based antimicrobial peptide (AMP) discovery faces critical challenges such as limited controllability, lack of representations that efficiently model antimicrobial properties, and low experimental hit rates.

By Diogo Soares, Leon Hetzel, Paulina Szymczak, Marcelo Der Torossian Torres, Johanna Sommer, Cesar de la Fuente-Nunez, Fabian Theis, Stephan G\"unnemann, Ewa Szczurek
arXiv AI
Jul 24

Generative Artificial Intelligence in Bioinformatics: A Systematic Review of Models, Applications, and Methodological Advances

arXiv:2511. 03354v2 Announce Type: replace-cross Abstract: Generative artificial intelligence (GenAI) is transforming bioinformatics by advancing genomics, proteomics, transcriptomics, structural biology, and drug discovery.

By Wasimul Karim, Riasad Alvi, Sayeem Been Zaman, Arefin Ittesafun Abian, Mohaimenul Azam Khan Raiaan, Saddam Mukta, Md Rafi Ur Rashid, Md Rafiqul Islam, Yakub Sebastian, Sami Azam
arXiv AI
Jun 3

CP-Agent: Context-Aware Multimodal Reasoning for Cellular Morphological Profiling under Chemical Perturbations

arXiv:2606. 03435v1 Announce Type: new Abstract: Cell Painting combines multiplexed fluorescent staining, high-content imaging, and quantitative analysis to generate high-dimensional phenotypic readouts to support diverse downstream tasks such as mechanism-of-action (MoA) inference, toxicity prediction, and construction of drug-disease atlases.

By Yuxin Zhang, Yiyao Li, Ping Shu Ho, Simon See, Zhenqin Wu, Kevin Tsia
arXiv AI
Aug 11

Biologically Informed Representation Learning for Robust Cross-Center Generalization of MALDI-TOF Mass Spectrometry

arXiv:2608. 08182v1 Announce Type: cross Abstract: Machine learning models for MALDI-TOF mass spectrometry have shown considerable promise for clinical microbiology tasks such as microbial identification and antimicrobial resistance prediction.

By Alejandro L. Garc\'ia-Navarro, Carlos Sevilla-Salcedo, Bel\'en Rodr\'iguez-S\'anchez, Vanessa G\'omez-Verdejo
arXiv AI
Jul 10

DrugGen 2: A disease-aware language model for enhancing drug discovery

arXiv:2607. 08404v1 Announce Type: cross Abstract: Current computational approaches for drug design typically focus on generating molecules conditioned on specific targets or general molecular properties, often neglecting the influence of disease context on target behavior and therapeutic outcomes.

By Ali Motahharynia, Mohammadreza Ghaffarzadeh-Esfahani, Mahsa Sheikholeslami, Navid Mazrouei, Matin Irajpour, Yousof Gheisari, Hajar Sirous
arXiv AI
Jun 16

MedAI: Evaluating TxAgent's Therapeutic Agentic Reasoning in the NeurIPS CURE-Bench Competition

arXiv:2512. 11682v2 Announce Type: replace Abstract: Therapeutic decision-making in clinical medicine constitutes a high-stakes domain in which AI guidance interacts with complex interactions among patient characteristics, disease processes, and pharmacological agents.

By Tim Cofala, Christian Kalfar, Jingge Xiao, Johanna Schrader, Michelle Tang, Wolfgang Nejdl