AIMC Topic: Computer-Aided Design

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Usability Evaluation of a Novel Robotic Power Wheelchair for Indoor and Outdoor Navigation.

Archives of physical medicine and rehabilitation Aug 25, 2018
OBJECTIVE: To compare the Mobility Enhancement roBotic (MEBot) wheelchair's capabilities with commercial electric-powered wheelchairs (EPWs) by performing a systematic usability evaluation.
Computer-Aided Design Architectural Accessibility Robotics Aged Male Middle Aged Wheelchairs Spatial Navigation Equipment Design Environment Electric Power Supplies Humans Female
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Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges.

Journal of computer-aided molecular design Aug 16, 2018
Advanced mathematics, such as multiscale weighted colored subgraph and element specific persistent homology, and machine learning including deep neural networks were integrated to construct mathematical deep learning models for pose and binding affin...
Molecular Docking Simulation Computer-Aided Design Crystallography, X-Ray Cathepsins Binding Sites Databases, Protein Protein Conformation Thermodynamics Protein Kinases Receptors, Cytoplasmic and Nuclear Drug Design Ligands Deep Learning Protein Binding
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Artificial intelligence in drug discovery.

Future medicinal chemistry Aug 13, 2018
Computer-Aided Design Drug Design Drug Discovery Artificial Intelligence Machine Learning Animals Humans Quantitative Structure-Activity Relationship
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AI-generated in silico data in patent applications.

Drug discovery today Aug 3, 2018
Computer Simulation Computer-Aided Design Drug Design Patents as Topic Humans Artificial Intelligence
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Artificial intelligence in drug design.

Science China. Life sciences Jul 18, 2018
Thanks to the fast improvement of the computing power and the rapid development of the computational chemistry and biology, the computer-aided drug design techniques have been successfully applied in almost every stage of the drug discovery and devel...
Computational Biology Structure-Activity Relationship Pharmaceutical Preparations Pharmacokinetics Humans Computer-Aided Design Artificial Intelligence Drug Design Computer Simulation Drug Discovery
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Reinforced Adversarial Neural Computer for de Novo Molecular Design.

Journal of chemical information and modeling Jun 12, 2018
In silico modeling is a crucial milestone in modern drug design and development. Although computer-aided approaches in this field are well-studied, the application of deep learning methods in this research area is at the beginning. In this work, we p...
Machine Learning Algorithms Computer-Aided Design Neural Networks, Computer Deep Learning Drug Design Equipment Design Drug Discovery
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Modern drug design: the implication of using artificial neuronal networks and multiple molecular dynamic simulations.

Journal of computer-aided molecular design Nov 13, 2017
We report the implementation of molecular modeling approaches developed as a part of the 2016 Grand Challenge 2, the blinded competition of computer aided drug design technologies held by the D3R Drug Design Data Resource ( https://drugdesigndata.org...
Ligands Protein Conformation Receptors, Cytoplasmic and Nuclear Binding Sites Drug Design Humans Protein Binding Neural Networks, Computer Machine Learning Molecular Dynamics Simulation Molecular Docking Simulation Computer-Aided Design
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Obituary: Toshio Fujita, QSAR pioneer.

Journal of computer-aided molecular design Nov 8, 2017
This is the obituary for Toshio Fujita, pioneer of the quantitative structure activity relationship (QSAR) paradigm.
Machine Learning Computer-Aided Design Humans Quantitative Structure-Activity Relationship Drug Design History, 20th Century Molecular Structure History, 21st Century
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What are the six degree-of-freedom errors of a robotically-machined femoral cavity in total hip arthroplasty and are they clinically important? An in-vitro study.

Medical engineering & physics Jul 26, 2017
Errors during a robot-assisted THA may result in a femoral cavity with position and orientation different than planned. This can lead to a femoral component placement that inaccurately sets a patient's femoral anteversion (FA), femoral offset (FO), a...
Medical Errors Middle Aged Aged Fiducial Markers Motion Computer-Aided Design Aged, 80 and over Humans Arthroplasty, Replacement, Hip Male Robotics Tomography, X-Ray Computed Femur Female
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Machine learning-enabled discovery and design of membrane-active peptides.

Bioorganic & medicinal chemistry Jul 8, 2017
Antimicrobial peptides are a class of membrane-active peptides that form a critical component of innate host immunity and possess a diversity of sequence and structure. Machine learning approaches have been profitably employed to efficiently screen s...
Machine Learning Anti-Infective Agents Animals Humans Antimicrobial Cationic Peptides Peptides Models, Molecular Computer-Aided Design Drug Design
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