Current Computer-Aided Drug Design

Editor-in-Chief:

Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA

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Meet Our Editorial Board Member: free to download

Volume:12   Issue: 1
Pp: 1-1
Shahul H. Nilar
DOI: 10.2174/157340991201160317143745

Using Deep Learning for Compound Selectivity Prediction promotion: free to download

Volume:12   Issue: 1
Pp: 5-14
Ruisheng Zhang, Juan Li, Jingjing Lu, Rongjing Hu, Yongna Yuan and Zhili Zhao
DOI: 10.2174/1573409912666160219113250

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

Volume:12   Issue: 1
Pp: 29-41
Lyudmyla M. Antypenko, Sergiy I. Kovalenko, Oleksandr V. Karpenko, Andrew M. Katsev, Volodymyr P. Novikov and Natalia S. Fedyunina
DOI: 10.2174/1573409912666160126142236

Artificial Neural Network Analysis of Pharmacokinetic and Toxicity Properties of Lead Molecules for Dengue Fever, Tuberculosis and Malaria

Volume:12   Issue: 1
Pp: 52-61
Shahul H. Nilar, Suresh B. Lakshminarayana, Ngai Ling Ma, Thomas H. Keller, Francesca Blasco and Paul W. Smith
DOI: 10.2174/1573409912999160112113539

Metabolic Electron Attachment as a Primary Mechanism For Toxicity Potentials of Halocarbons

Volume:12   Issue: 1
Pp: 62-72
Krishnan Balasubramanian and Subhash C. Basak
DOI: 10.2174/1573409912666160120151627

Identification of Novel BACE1 Inhibitors by Combination of Pharmacophore Modeling, Structure-Based Design and In Vitro Assay

Volume:12   Issue: 1
Pp: 73-82
Yuan Ju, Zicheng Li, Yong Deng, Aiping Tong, Liangxue Zhou and Youfu Luo
DOI: 10.2174/1573409912666160222113103