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 stage of drug discovery.Compared with traditional similarity-based machine learning methods, deep learning frameworks for LBVS can more effectively extract high-order molecule structure representations from

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The basics of a system for evaluation of fiber-cement materials based on acoustic emission and time-frequency analysis

Fiber-cement building products are increasingly used in construction.They craggy range sauvignon blanc 2022 are used as building and finishing material for facades, internal walls and roofs.Numerous advantages such as relatively low weight, low absorbability and relatively high strength allow to use these materials in bulky constructions and in bui

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Ionospheric scintillation monitoring and modelling

<p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 9.0px Times;">This paper presents a review of the ionospheric scintillation monitoring and modelling by the European groups</p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 9.0px Times;">involved in COST 296.Several of these groups 9x11 pergola have organized scintillation measu

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