AIMC Topic: Computer-Aided Design

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Molecular graph convolutions: moving beyond fingerprints.

Journal of computer-aided molecular design Aug 24, 2016
Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the molecular structur...
Drug Design Molecular Structure Pharmaceutical Preparations Neural Networks, Computer Ligands Machine Learning Computer Graphics Computer-Aided Design
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A renaissance of neural networks in drug discovery.

Expert opinion on drug discovery Jul 4, 2016
INTRODUCTION: Neural networks are becoming a very popular method for solving machine learning and artificial intelligence problems. The variety of neural network types and their application to drug discovery requires expert knowledge to choose the mo...
Drug Design Drug Discovery Structure-Activity Relationship Pharmaceutical Preparations Humans Neural Networks, Computer Drug Delivery Systems Computer-Aided Design Models, Biological
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A cortically-inspired model for inverse kinematics computation of a humanoid finger with mechanically coupled joints.

Bioinspiration & biomimetics May 19, 2016
The human hand's versatility allows for robust and flexible grasping. To obtain such efficiency, many robotic hands include human biomechanical features such as fingers having their two last joints mechanically coupled. Although such coupling enables...
Humans Computer-Aided Design Models, Neurological Hand Strength Robotics Equipment Design Neural Networks, Computer Computer Simulation Biomechanical Phenomena Animals Motor Cortex Finger Joint Biomimetics Feedback, Physiological Fingers Nerve Net Equipment Failure Analysis
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Discovery and Optimization of Materials Using Evolutionary Approaches.

Chemical reviews May 12, 2016
Materials science is undergoing a revolution, generating valuable new materials such as flexible solar panels, biomaterials and printable tissues, new catalysts, polymers, and porous materials with unprecedented properties. However, the number of pot...
Machine Learning Computer Simulation Computer-Aided Design Neural Networks, Computer Nanoparticles Oxides Metals, Heavy Catalysis Membranes, Artificial Engineering
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PCA-based polling strategy in machine learning framework for coronary artery disease risk assessment in intravascular ultrasound: A link between carotid and coronary grayscale plaque morphology.

Computer methods and programs in biomedicine Mar 2, 2016
BACKGROUND AND OBJECTIVE: Percutaneous coronary interventional procedures need advance planning prior to stenting or an endarterectomy. Cardiologists use intravascular ultrasound (IVUS) for screening, risk assessment and stratification of coronary ar...
Carotid Intima-Media Thickness Carotid Arteries Plaque, Atherosclerotic Support Vector Machine Principal Component Analysis Coronary Artery Disease Coronary Vessels Aged, 80 and over Adult Male Middle Aged Risk Assessment Computer-Aided Design Ultrasonography Computational Biology Retrospective Studies Female Reproducibility of Results Aged Humans Machine Learning Algorithms
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Enhancement of finger motion range with compliant anthropomorphic joint design.

Bioinspiration & biomimetics Feb 18, 2016
Robotic researchers have been greatly inspired by the human hand in the search to design and build adaptive robotic hands. Especially, joints have received a lot of attention upon their role in maintaining the passive compliance that gives the finger...
Fingers Equipment Failure Analysis Finger Joint Equipment Design Humans Models, Biological Biomimetics Computer Simulation Range of Motion, Articular Computer-Aided Design Hand Strength Robotics
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Hydrodynamics of a robotic fish tail: effects of the caudal peduncle, fin ray motions and the flow speed.

Bioinspiration & biomimetics Feb 8, 2016
Recent advances in understanding fish locomotion with robotic devices have included the use of biomimetic flapping based and fin undulatory locomotion based robots, treating two locomotions separately from each other. However, in most fish species, p...
Animals Computer-Aided Design Robotics Equipment Design Models, Biological Perciformes Ships Biomimetics Computer Simulation Animal Fins Rheology Swimming Hydrodynamics Equipment Failure Analysis
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Energetic analysis and experiments of earthworm-like locomotion with compliant surfaces.

Bioinspiration & biomimetics Feb 4, 2016
The energy consumption of worm robots is composed of three parts: heat losses in the motors, internal friction losses of the worm device and mechanical energy locomotion requirements which we refer to as the cost of transport (COT). The COT, which is...
Peristalsis Models, Theoretical Robotics Equipment Design Biomimetics Oligochaeta Elastic Modulus Computer Simulation Locomotion Energy Transfer Animals Equipment Failure Analysis Computer-Aided Design
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Bi-directional series-parallel elastic actuator and overlap of the actuation layers.

Bioinspiration & biomimetics Jan 27, 2016
Several robotics applications require high torque-to-weight ratio and energy efficient actuators. Progress in that direction was made by introducing compliant elements into the actuation. A large variety of actuators were developed such as series ela...
Equipment Design Humans Biomimetics Stress, Mechanical Muscle Contraction Animals Equipment Failure Analysis Computer-Aided Design Electric Power Supplies Muscle, Skeletal Transducers Robotics Elastic Modulus
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A locust-inspired miniature jumping robot.

Bioinspiration & biomimetics Nov 25, 2015
Unmanned ground vehicles are mostly wheeled, tracked, or legged. These locomotion mechanisms have a limited ability to traverse rough terrain and obstacles that are higher than the robot's center of mass. In order to improve the mobility of small rob...
Robotics Computer Simulation Motion Equipment Failure Analysis Equipment Design Animals Biomimetics Extremities Gait Computer-Aided Design Miniaturization Grasshoppers Models, Biological Muscle, Skeletal Muscle Contraction
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