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Molecular Informatics|July 29, 2016
Self-Organizing Maps for In Silico Screening and Data VisualizationDaniela Digles, Gerhard F Ecker
Molecular Informatics|July 29, 2016
Optimization of Structure Based Virtual Screening Protocols Against Thymidine Monophosphate Kinase Inhibitors as Antitubercular AgentsZaheer Ul-Haq, Reaz Uddin, Sana Gul
Molecular Informatics|July 29, 2016
A Novel Generalized 3D-QSAR Model of Camptothecin AnalogsMagdalena Bacilieri, Silvia Paoletta, Serena Basili, et al.
Molecular Informatics|July 29, 2016
Identification and Application of Antitarget Activity Hotspots to Guide Compound OptimizationGerhard Hessler, Hans Matter, Friedemann Schmidt, et al.
Molecular Informatics|August 2, 2016
QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction StudiesVéronique Hamon, Dragos Horvath, Cédric Gaudin, et al.
Molecular Informatics|August 2, 2016
An Advanced Group Contribution Method for High-Dimensional, Sparse Data SetsChang Jun Lee, Jong Min Lee
Molecular Informatics|August 2, 2016
Linear and Nonlinear Support Vector Machine for the Classification of Human 5-HT1A Ligand FunctionalityLirong Wang, Chao Ma, Peter Wipf, et al.
Molecular Informatics|August 3, 2016
In Silico Prediction of Mechanism of Action for Cancer TherapeuticsE A Whitebay, K A M Gasem, B J Neely, et al.
Molecular Informatics|August 3, 2016
Integrated One-Against-One Classifiers as Tools for Virtual Screening of Compound Databases: A Case Study with CNS InhibitorsMehdi Jalali-Heravi, Ahmad Mani-Varnosfaderani, Abolfazl Valadkhani
Molecular Informatics|August 3, 2016
Virtual Screening of Anti-Mycobacterial Plant CompoundsFatemeh Saadat, Soroush Sardari, Bahram Maleki
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