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Current Computer-Aided Drug Design aims to publish all the latest developments in drug design based on computational techniques. The field of computer-aided drug design has had extensive impact in the area of drug design. Current Computer-Aided Drug Design is an essential journal for all medicinal chemists who wish to be kept informed and up-to-date with all the latest and important developments in computer-aided methodologies and their applications in drug discovery. Each issue contains a series of timely, in-depth reviews written by leaders in the field, covering a range of computational techniques for drug design, screening, ADME studies, etc., providing excellent rationales for drug development.

Publisher: Bentham Science Publishers

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Volume 12, Number 1, 2016

Articles

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pp. i-iii(3)

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pp. 1-1(1)
Author: H. Nilar, Shahul

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Using Deep Learning for Compound Selectivity Prediction
pp. 5-14(10)
Authors: Zhang, Ruisheng; Li, Juan; Lu, Jingjing; Hu, Rongjing; Yuan, Yongna; Zhao, Zhili

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1-R-2-([1,2,4]Triazolo[1,5-c]quinazoline-2-ylthio)etanon(ol)s: Synthesis, Bioluminescence Inhibition, Molecular Docking Studies, Antibacterial and Antifungal Activities
pp. 29-41(13)
Authors: M. Antypenko, Lyudmyla; I. Kovalenko, Sergiy; V. Karpenko, Oleksandr; M. Katsev, Andrew; P. Novikov, Volodymyr; S. Fedyunina, Natalia

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Artificial Neural Network Analysis of Pharmacokinetic and Toxicity Properties of Lead Molecules for Dengue Fever, Tuberculosis and Malaria
pp. 52-61(10)
Authors: H. Nilar, Shahul; B. Lakshminarayana, Suresh; Ling Ma, Ngai; H. Keller, Thomas; Blasco, Francesca; W. Smith, Paul

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Metabolic Electron Attachment as a Primary Mechanism For Toxicity Potentials of Halocarbons
pp. 62-72(11)
Authors: Balasubramanian, Krishnan; C. Basak, Subhash

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Identification of Novel BACE1 Inhibitors by Combination of Pharmacophore Modeling, Structure-Based Design and In Vitro Assay
pp. 73-82(10)
Authors: Ju, Yuan; Li, Zicheng; Deng, Yong; Tong, Aiping; Zhou, Liangxue; Luo, Youfu

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