Results 71 to 80 of about 14,697 (286)
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
Considering spatiotemporal evolutionary information in dynamic multi‐objective optimisation
CAAI Transactions on Intelligence Technology, EarlyView., 2023 Abstract Preserving population diversity and providing knowledge, which are two core tasks in the dynamic multi‐objective optimisation (DMO), are challenging since the sampling space is time‐ and space‐varying. Therefore, the spatiotemporal property of evolutionary information needs to be considered in the DMO.
Qinqin Fan +3 more
wiley +1 more source
Angewandte Chemie, EarlyView.H2O2‐directed solvate engineering reorganizes ∞[4HP] (4‐hydroxypyridine) chains from a crossed arrangement into a nearly parallel packing through strengthened hydrogen‐bonding interactions. The resulting peroxide‐containing crystal, 4HP·H2O2, exhibits a solar‐blind UV cutoff edge (278 nm) and giant birefringence (0.609 @ 546 nm). This work demonstrates
Yang Li, Congcong Jin, Kang Min Ok
wiley +2 more sources
, 2011 This article presents an algorithm for multi-objective optimization that blends together a number of heuristics. A population of agents combines heuristics that aim at exploring the search space both globally and in a neighbourhood of each agent.
Vasile, M. +3 more
core +1 more source
Pareto front for α = 0.5 of AUGMECON method.
, 2022 Pareto front for α = 0.5 of AUGMECON method.
Shuqi Zhong (13844723) +3 more
core +1 more source
Lessons From Drug Discovery for Cryoprotective Agent Design: An AI‐Oriented Perspective
Advanced Science, EarlyView.Cryoprotectant design is reframed through the lens of drug discovery as a multiparameter optimization problem. This perspective highlights how AI and systematic design strategies could enable safer, more effective cryoprotectants, while identifying key limitations that currently constrain predictive progress in cryobiology. ABSTRACT Cryopreservation is
Dominika Wilczok +4 more
wiley +1 more source
Automated Dynamic Flow Experimentation for Rapid Kinetic Fitting of Transition Metal Catalysis
Angewandte Chemie, EarlyView.We have developed an automated dynamic flow experimentation platform to automatically fit and identify the most accurate kinetic model from a generated set of candidates. Three transition metal‐catalyzed transformations were performed using this workflow.
Florian L. Wagner +3 more
wiley +2 more sources
AMB ExpressT and B cell activation are equally important in triggering and orchestrating adaptive host responses to design multi-epitope African swine fever virus (ASFV) vaccines.
Ting-Yu Chen +5 more
doaj +1 more source
Reference Point MCDM Algorithm for Spectral and Energy Efficiency Trade-Off in Massive MIMO Systems
IEEE AccessThis paper proposes a new algorithm for choosing a solution in the Pareto Optimal Front of the multi-objective optimization problem of the spectral and energy efficiency trade-off in Massive MIMO (Multiple-Input, Multiple-Output) systems.
Eni Haxhiraj +2 more
doaj +1 more source
Optimal populations and Pareto front.
, 2019 (A) Pareto front (black) representing the optimal (non-dominated) population Π(m); non-optimal (dominated) solutions behind the Pareto front are also shown, colored according to the generation of the evolutionary algorithm they belong to.
Dick K. P. Yue (7609910) +1 more
core +1 more source