arXiv:2606. 14245v1 Announce Type: new Abstract: Drug-target interaction (DTI) and affinity (DTA) predictors increasingly achieve strong benchmark scores, yet their internal use of sequence, fingerprint, and graph features often remains opaque.
By Ali Vefghi, Zahed Rahmati, Mohammad Akbari
arXiv:2606. 18703v1 Announce Type: new Abstract: Pretrained biological language models expose per-token probability distributions through masked-token prediction, providing the likelihood interface central to sequence design, variant scoring, and mechanistic interpretation.
By Yanjun Shao, Yundi Chen, Yashvi Patel, Aurelien Pelissier, Mar\'ia Rodr\'iguez Mart\'inez
arXiv:2603. 02274v3 Announce Type: replace-cross Abstract: Precision oncology is currently limited by the small-N, large-P paradox, where high-dimensional genomic data is abundant but pharmacological response samples are sparse.
By Christopher Baker, Tianyu Ren, Karen Rafferty, Hui Wang
arXiv:2607. 16262v1 Announce Type: cross Abstract: The acceleration of automated scientific discovery has been fundamentally bottlenecked by the epistemic gap between the semantic reasoning of large language models (LLMs) and the deterministic physics of mammalian biology.
By Christopher Baker, Tianyu Ren, Karen Rafferty, Hui Wang, Simon McDade
arXiv:2607. 17601v1 Announce Type: cross Abstract: Accurate protein-ligand binding affinity prediction is central to computational drug discovery, yet modern docking engines frequently disagree without indicating which prediction to trust.
By Yongchan Hong, Defu Cao, Wenjin Liu, Thomas Ku, Jordy Homing Lam, Emily Nguyen, Willie Neiswanger, Vsevolod Katritch, Yan Liu
arXiv:2604. 27967v2 Announce Type: replace Abstract: Background: We introduce StructGP, a continuous-time multi-task Gaussian process that couples process convolutions with differentiable structure learning to uncover a sparse, ordered directed acyclic graph (DAG) of inter-variable dependencies while preserving principled uncertainty.
By Ivan Lerner, Jean Feydy, Alexandre Kalimouttou, Anita Burgun, Francis Bach