Results 181 to 190 of about 169,559 (249)

Digital design and optimization of the integrated synthesis and crystallization process using data‐driven approaches

AIChE Journal, EarlyView.
Abstract This study presents a data‐driven modeling and multi‐objective optimization framework for an integrated section of continuous pharmaceutical manufacturing, focusing on flow synthesis and continuous crystallization. To address data scarcity and trade‐offs among product quality, efficiency, and environmental impact, the framework combines ...
Yiming Ma, Wei Li, Jiaxu Liu, Gao Shang, Huaiyu Yang, Junbo Gong, Zoltan K. Nagy, Brahim Benyahia   +7 more
wiley   +1 more source

Optogenetic control of a GEF of RhoA uncovers a signaling switch from retraction to protrusion. [PDF]

Elife
de Seze J, Bongaerts M, Boulevard B, Coppey M.   +3 more
europepmc   +1 more source

Predicting High‐Resolution Spatial and Spectral Features in Mass Spectrometry Imaging with Machine Learning and Multimodal Data Fusion

Advanced Intelligent Discovery, EarlyView.
A multimodal fusion pipeline predicts high‐resolution ion distributions in imaging mass spectrometry by integrating Fourier transform ion cyclotron resonance, time‐of‐flight matrix‐assisted laser desorption/ionization, and time‐of‐flight secondary ion mass spectrometry data.
Md Inzamam Ul Haque, Ramakrishnan Kannan, Jacob D. Hinkle, Sylwia A. Stopka, Anton V. Ievlev, Nathalie Y. R. Agar, Olga S. Ovchinnikova, Debangshu Mukherjee   +7 more
wiley   +1 more source

Network analysis of multivariate time series data in biological systems: methods and applications. [PDF]

Brief Bioinform
Mei H, Wang Z, Yang H, Li X, Xu Y.
europepmc   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

TaxaCal: enhancing species-level profiling accuracy of 16S amplicon data. [PDF]

BMC Bioinformatics
Shen Q, Fan X, Sun Y, Gao H, Su X.
europepmc   +1 more source

opXRD: Open Experimental Powder X‐Ray Diffraction Database

Advanced Intelligent Discovery, EarlyView.
We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek, Henrik Schopmans, Jona Östreicher, Jonas Teufel, Bin Cao, Adie Alwen, Simon Schweidler, Mriganka Singh, Tim Kodalle, Hanlin Hu, Gregoire Heymans, Maged Abdelsamie, Arthur Hardiagon, Alexander Wieczorek, Siarhei Zhuk, Ruth Schwaiger, Sebastian Siol, François‐Xavier Coudert, Moritz Wolf, Carolin M. Sutter‐Fella, Ben Breitung, Andrea M. Hodge, Tong‐yi Zhang, Pascal Friederich   +23 more
wiley   +1 more source

Cost-Effectiveness of Locking vs Nonlocking Plates for Ankle Fracture Fixation: A Retrospective PROMIS-Based Cohort Study. [PDF]

Foot Ankle Orthop
Balu AR, Bhargava R, Mittal M, Bergman R, Patel M, Kadakia AR, Mutawakkil M.   +6 more
europepmc   +1 more source

Bayesian Optimization Guiding the Experimental Mapping of the Pareto Front of Mechanical and Flame‐Retardant Properties in Polyamide Nanocomposites

Advanced Intelligent Discovery, EarlyView.
Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir, Miguel Hernández‐del‐Valle, Christina Schenk, De‐Yi Wang, Maciej Haranczyk   +4 more
wiley   +1 more source

Electronic News Dataset for Native Advertisement Detection. [PDF]

Sci Data
Darnoto BRP, Siahaan D, Purwitasari D.
europepmc   +1 more source