Combinatorial Chemistry & High Throughput Screening

Accelerated Technologies for Biotechnology, Bioassays, Medicinal Chemistry and Natural Products Research


Gerald H. Lushington
LiS Consulting, Lawrence


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Volume:18   Issue: 3
Pp: 235-235
Antreas Afantitis and Georgia Melagraki
DOI: 10.2174/138620731803150423164455

Editorial (Thematic Issue: Advances in Cheminformatics: Drug Discovery, Computational Toxicology and Nanomaterials (Part I)) free to download

Volume:18   Issue: 3
Pp: 236-237
Georgia Melagraki and Antreas Afantitis
DOI: 10.2174/138620731803150423131038

Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs

Volume:18   Issue: 3
Pp: 238-256
Tahsin Kellici, Dimitrios Ntountaniotis, Eleni Vrontaki, George Liapakis, Panagiota Moutevelis-Minakakis, George Kokotos, Sotiris Hadjikakou, Andreas G. Tzakos, Antreas Afantitis, Georgia Melagraki, Sharon Bryant, Thierry Langer, Vincenzo Di Marzo and Thomas Mavromoustakos
DOI: 10.2174/1386207318666150305125638

A Ligand-Based Virtual Screening Approach to Identify Small Molecules as hERG Channel Activators

Volume:18   Issue: 3
Pp: 269-280
Elisa Giacomini, Rosa Buonfiglio, Matteo Masetti, Yuhong Wang, Gea-Ny Tseng, Marinella Roberti and Maurizio Recanatini
DOI: 10.2174/1386207318666150305121841

LiSIs: An Online Scientific Workflow System for Virtual Screening

Volume:18   Issue: 3
Pp: 281-295
Christos C. Kannas, Ioanna Kalvari, George Lambrinidis, Christiana M. Neophytou, Christiana G. Savva, Ioannis Kirmitzoglou, Zinonas Antoniou, Kleo G. Achilleos, David Scherf, Chara A. Pitta, Christos A. Nicolaou, Emanuel Mikros, Vasilis J. Promponas, Clarissa Gerhauser, Rajendra G. Mehta, Andreas I. Constantinou and Constantinos S. Pattichis
DOI: 10.2174/1386207318666150305123341

Molecular Docking to Identify Associations Between Drugs and Class I Human Leukocyte Antigens for Predicting Idiosyncratic Drug Reactions

Volume:18   Issue: 3
Pp: 296-304
Heng Luo, Tingting Du, Peng Zhou, Lun Yang, Hu Mei, Huiwen Ng, Wenqian Zhang, Mao Shu, Weida Tong, Leming Shi, Donna L. Mendrick and Huixiao Hong
DOI: 10.2174/1386207318666150305144015

Prediction of Drug Induced Liver Injury Using Molecular and Biological Descriptors

Volume:18   Issue: 3
Pp: 315-322
Christophe Muller, Dumrongsak Pekthong, Eliane Alexandre, Gilles Marcou, Dragos Horvath, Lysiane Richert and Alexandre Varnek
DOI: 10.2174/1386207318666150305144650

Comparing Global and Local Likelihood Score Thresholds in Multiclass Laplacian-Modified Naive Bayes Protein Target Prediction

Volume:18   Issue: 3
Pp: 323-330
Georgios Drakakis, Alexios Koutsoukas, Suzanne C. Brewerton, Michael J. Bodkin, David A. Evans and Andreas Bender
DOI: 10.2174/1386207318666150305145012