Accurate Identification of Protein Binding Sites for All Drug Modalities Using ALLSites
ALLSites is a unified sequence‐based framework for identifying proteome‐wide binding sites across all drug modalities. It integrates a gated convolutional network with a transformer architecture to capture residue interactions directly from the sequence.
Minjie Mou +14 more
wiley +1 more source
Using, misusing, and improving online machine learning-based meta-analysis of neuroimaging published data: A perspective on NeuroQuery. [PDF]
Mahafza Y +4 more
europepmc +1 more source
QUERY2BERT: Combining Knowledge Graph and Language Model for Reasoning on Logical Queries
Truong H. V. Phan, Phuc Do
openalex +1 more source
ABSTRACT Precise transgene‐free gene upregulation remains a challenge in crop biotechnology, as conventional enhancers often exceed CRISPR‐mediated knock‐in size constraints and face regulatory hurdles. Here we establish a foundational cross‐species resource of compact transcriptional enhancers developed via STEM‐seq, a high‐throughput screening ...
Qi Yao +14 more
wiley +1 more source
Real-time clinical analytics at scale: a platform built on large language models-powered knowledge graphs. [PDF]
Cao S +5 more
europepmc +1 more source
Machine Learning for Green Solvents: Assessment, Selection and Substitution
Environmental regulations have intensified demand for green solvents, but discovery is limited by Solvent Selection Guides (SSGs) that quantify solvent sustainability. Training a machine learning model on GlaxoSmithKline SSG, a database of sustainability metrics for 10,189 solvents, GreenSolventDB is developed. Integrated with Hansen solubility metrics,
Rohan Datta +4 more
wiley +1 more source
Sensing User Intent: An LLM-Powered Agent for On-the-Fly Personalized Virtual Space Construction from UAV Sensor Data. [PDF]
Luo S.
europepmc +1 more source
A Perspective on Interactive Theorem Provers in Physics
Into an interactive theorem provers (ITPs), one can write mathematical definitions, theorems and proofs, and the correctness of those results is automatically checked. This perspective goes over the best usage of ITPs within physics and motivates the open‐source community run project PhysLean, the aim of which is to be a library for digitalized physics
Joseph Tooby‐Smith
wiley +1 more source
Spectral Decomposition of Chemical Semantics for Activity Cliffs‐Aware Molecular Property Prediction
PrismNet mimics chemical intuition by functioning as a computational prism, refracting molecular graphs into complementary semantic views and spectral frequencies. This dual‐decomposition strategy effectively captures both global topologies and subtle “activity cliff” perturbations.
Chaoyang Xie +9 more
wiley +1 more source

