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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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chemical environment

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2 results in Keywords: chemical environment

Theoretical and Computational Chemistry

A General Protocol for the Accurate Predictions of Molecular 13C/1H NMR Chemical Shifts via Machine Learning

Peng Gao, Jun Zhang, Qian Peng, Vassiliki-Alexandra Glezakou

Version 1 posted 10 December 2019

909

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Biological and Medicinal Chemistry

CANDOCK: Chemical Atomic Network Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

Jonathan Fine, Janez Konc, Ram Samudralal, Gaurav Chopra

Version 1 posted 15 October 2018

588

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1

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