EMPLOYING MOLECULAR CONFORMATIONS FOR LIGAND-BASED VIRTUAL SCREENING WITH EQUIVARIANT GRAPH NEURAL NETWORK AND DEEP MULTIPLE INSTANCE LEARNING

Employing Molecular Conformations for Ligand-Based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning

Ligand-based virtual screening (LBVS) is a promising approach for rapid and low-cost screening of potentially bioactive molecules in the early General Wound Care - Adhesive Removers stage of drug discovery.Compared with traditional similarity-based machine learning methods, deep learning frameworks for LBVS can more effectively extract high-order m

read more


Dilaceration of Mandibular Central Incisor: a case report

Dilaceration of teeth can ocur as a result Water Filtration Cartridges of trauma to its primary predecessors.Crown dilaceration is more rare than root dilacerations.This report describes a rare case of crown dilaceration of the mandibular central incisor caused by trauma.Periapical radiography and cone beam computed tomography scans revealed a seve

read more

The Potential Therapeutic Effects of Agmatine, Methylprednisolone, and Rapamycin on Experimental Spinal Cord Injury

Objective: In spinal cord injury (SCI), the primary mechanical damage leads to a neuroinflammatory response and the secondary neuronal injury occurs in response to the release of reactive oxygen species Anchors (ROS).In addition to the suppression of inflammation, autophagy plays a significant role in the survival of neurons during secondary SCI.Th

read more