Advanced Intelligent Discovery, EarlyView.This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu +5 more
wiley +1 more source
Role of information technology in enhancing competitive priorities: Evidence from Yemeni pharmaceutical sector [PDF]
Problems and Perspectives in ManagementType of article: Research Article AbstractThe pharmaceutical sector in Yemen faces intensified competition and resource constraints, necessitating operational excellence and innovation to sustain competitiveness.
Khadeeja Aljaradi, Ahmad Alshami
doaj +1 more source
Gender and racialisation of pharmaceutical sector leaders in Canada: a cross-sectional study. [PDF]
BMJ Open, 2023 Satgunanathan K +4 more
europepmc +1 more source
Assessing Efficiency in the Pharmaceutical Sector of Nigeria
Central Bank of Nigeria Journal of Applied Statistics, 2019 The study analyses, empirically, the efficiency of the Pharmaceutical sector in Nigeria. Employing a balanced panel of 20 pharmaceutical firms between 2012 and 2016, the paper uses a non-parametric technique (Data Envelopment Analysis) to analyze the firms' efficiency under the constant returns to scale (CRS) and variable returns to scale (VRS ...
Obukohwo, Efayena Oba +2 more
openaire +2 more sources
Advanced Intelligent Discovery, EarlyView.Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova +4 more
wiley +1 more source
Exploring the antecedents of AI adoption for effective HRM practices in the Indian pharmaceutical sector. [PDF]
Front Pharmacol, 2023 Goswami M +5 more
europepmc +1 more source
An Autonomous Large Language Model‐Agent Framework for Transparent and Local Time Series Forecasting
Advanced Intelligent Discovery, EarlyView.Architecture of the proposed large language model (LLM)‐based agent framework for autonomous time series forecasting in thermal power generation systems. The framework operates through a vertical pipeline initiated by natural language queries from users, which are processed by the LLM Agent Core powered by Llama.cpp and a ReAct loop with persistent ...
William Gouvêa Buratto +5 more
wiley +1 more source
Human Paraoxonase 1 as a Pharmacologic Agent: Limitations and Perspectives
The Scientific World Journal, 2014 Human PON1 (h-PON1) is a multifaceted enzyme and can hydrolyze (and inactivate) a wide range of substrates. The enzyme shows anti-inflammatory, antioxidative, antiatherogenic, ant-diabetic, antimicrobial, and organophosphate (OP)-detoxifying properties ...
Priyanka Bajaj +3 more
doaj +1 more source
Policies and practices in Nigeria's pharmaceutical sector: A mixed methods exploration of stakeholders' perspectives on strategic reforms. [PDF]
Health Policy Open, 2023 Adigwe OP.
europepmc +1 more source
AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes
Advanced Intelligent Discovery, EarlyView.To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song +6 more
wiley +1 more source