Preliminary specification and design documentation for software components to achieve catallaxy in computational systems [PDF]
This Report is about the preliminary specifications and design documentation for software components to achieve Catallaxy in computational systems. -- Die Arbeit beschreibt die Spezifikation und das Design von Softwarekomponenten, um das Konzept der ...
Veit, Daniel +7 more
core
Advanced Science, EarlyView.SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang +8 more
wiley +1 more source
Exploring epidemic control policies using nonlinear programming and mathematical models. [PDF]
PLoS Comput BiolMontes-Olivas S +3 more
europepmc +1 more source
A Data‐Driven Inverse Design Methodology for Magnetic Soft Millirobots Navigating in Confined Spaces
Advanced Science, EarlyView.A data‐efficient inverse design framework automates the optimization of magnetic soft millirobots for confined‐space navigation. Integrating a physics‐based Cosserat rod model with Bayesian optimization efficiently identifies high‐performance geometries.
Ziyu Ren +5 more
wiley +1 more source
Building Computational Literacy in Undergraduate Sociology Using Software: An Example in Teaching Social Network Analysis. [PDF]
Teach SociolWolff T, Varela G, Eastwood J.
europepmc +1 more source
Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction
Advanced Science, EarlyView.We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen +3 more
wiley +1 more source
Automated production cutting optimization for minimizing material waste of pipelines in prefabricated MEP systems based on integer programming. [PDF]
Sci RepFan X, Yang L, Zhao X.
europepmc +1 more source
Advanced Science, EarlyView.This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley +1 more source
Development and implementation of a unified curriculum in math, statistics, computing, and informatics with financial considerations for medical physics graduate programs. [PDF]
J Appl Clin Med PhysChang J, Vaccarelli MJ.
europepmc +1 more source
Nucleic Acid Therapeutics for “Undruggable” Cancer Targets: Mechanisms, Challenges, and Prospects
Advanced Science, EarlyView.Nucleic acid therapeutics bypass the structural limitations of conventional drugs by targeting mRNA rather than proteins. This review examines how antisense oligonucleotides, siRNAs, miRNAs, aptamers, and mRNA vaccines intervene against historically undruggable oncoproteins including Ras, MYC, and p53, highlighting mechanistic advances, delivery ...
Feng Xu +6 more
wiley +1 more source