Results 81 to 90 of about 4,705,565 (247)
Integration of virtual and physical screening
Drug Discovery Today: Technologies, 2006 High-throughput screening (HTS) represents the dominant technique for the identification of new lead compounds in current drug discovery. It consists of physical screening (PS) of large libraries of chemicals against one or more specific biological targets.
Fara, Dan C. +5 more
openaire +2 more sources
Advanced Engineering Materials, EarlyView.A simplified thermoplastic pultrusion model is developed to predict thermal fields in glass fiber/polyethylene terephthalate (GF/PET) composites with reduced computational cost. By combining effective material homogenization, validation against literature data, and Gaussian‐process‐based optimization, the study reveals how heating limits, pulling speed,
Elder Soares +3 more
wiley +1 more source
Sequence-based virtual screening using transformers
Nature CommunicationsProtein-ligand interactions play central roles in myriad biological processes and are of key importance in drug design. Deep learning approaches are becoming cost-effective alternatives to high-throughput experimental methods for ligand identification ...
Shengyu Zhang +6 more
doaj +1 more source
Three-Dimensional Compound Comparison Methods and Their Application in Drug Discovery
Molecules, 2015 Virtual screening has been widely used in the drug discovery process. Ligand-based virtual screening (LBVS) methods compare a library of compounds with a known active ligand.
Woong-Hee Shin +3 more
doaj +1 more source
The PRIMA Thesaurus for Materials Science and Engineering
Advanced Engineering Materials, EarlyView.The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa +8 more
wiley +1 more source
National Breast Screening Committee first report 1998
, 1998 National Breast Screening Committee ...
National Breast Screening Committee
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New AI‐Assisted Approach for Expanding the Solution Space: Application to Lattice Structure Design
Advanced Engineering Materials, EarlyView.This work introduces an innovative framework for designing structured materials by ex panding the design space through reparameterization of qualitative variables into continuous structural descriptors. Combined with machine‐learning‐based prediction and multi‐objective optimization, the approach enables the discovery of novel lattice architectures ...
G. H. Gahimbare +5 more
wiley +1 more source
Making virtual screening a reality [PDF]
Proceedings of the National Academy of Sciences, 2003 The discovery of new bioactive compounds for specific biomolecular targets represents a significant hurdle in the early stages of drug discovery. Advances in automation and bioanalytical methods have provided high-throughput screening (HTS) techniques that can perform individual biochemical assays on as many as a million compounds or more.
openaire +2 more sources
Advanced Engineering Materials, EarlyView.The OntOMat ontology establishes a structured framework for polymer matrix fiber reinforced composite materials, integrating manufacturing processes, characterization methods, and multiscale design through the VDI/VDE 3682 formalized process description standard.
Nicolas Christ +19 more
wiley +1 more source
, 1995 This report outlines the major epidemiological aspects of screening for breast cancer, drawing extensively on experience accrued at the ECCLES Breast Screening Programme over 5 years. It is not an exhaustive account of all aspects of screening.
Codd, Mary B
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