HIDDEN BIAS IN THE DUD-E DATASET LEADS TO MISLEADING PERFORMANCE OF DEEP LEARNING IN STRUCTURE-BASED VIRTUAL SCREENING.

Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening.

Recently much effort has been invested in using convolutional neural network (CNN) models trained on 3D structural images of protein-ligand complexes to distinguish binding from non-binding ligands for virtual screening.However, the dearth of reliable protein-ligand x-ray structures and binding affinity data has required the use of constructed data

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The establishment and growth of Empangeni

The name Empangeni is a Zulu word of which there are various interpretations as to its origin.In 1841 Aldin Grout, a missionary of the American Mission Society, was the first White to arrive in the area.He only remained a short time and was followed in 1851 by the Rev.H.P.S.Schreuder of the Norwegian Mission Society.In 1887 Zululand was declared Br

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Design and Analysis of a Flow-Control Valve With Controllable Pressure Compensation Capability for Mobile Machinery

There are Boys hooded tech tee the problems of low flow control accuracy, small flow control difficulty, and limited flow range in the traditional pressure-compensation flow-control valve.For this, a method of continuous control pressure drop $Delta p_{mathrm {rated}}$ to control flow-control valve flow is proposed.And the precise control of small

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THE INFLUENCE OF ISO 9000 AND STRATEGIC ROLE OF MSDM TOWARDS PERFORMANCE OF AN ORGANIZATION: SURVEYS AT ISO 9000 STANDARDIZED PUBLIC HEALTH CENTERS IN CENTRAL SULAWESI, INDONESIA

Despite of several Baby Comforter advantages it has, implementation of ISO 9000 has several shortcomings, namely additional costs to get ISO certification, increasing workload, little or no attention towards personal development, lack of attention towards supporting functions within an organization, less room for employees to think creatively as em

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