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Molecular Informatics|August 3, 2016
Rendering Molecular Sketches for Publication Quality OutputAlex M Clark
Molecular Informatics|August 3, 2016
Determination of the Potential of Drug Candidates to Cause Severe Skin Disorders Using Computational ModelingYuye He, Frederica Hui Ting Chong, Junianti Lim, et al.
Molecular Informatics|August 3, 2016
Comparative Analysis of Cluster Validity Indices in Identifying Some Possible Genes Mediating Certain CancersAnupam Ghosh, Bibhas Chandra Dhara, Rajat K De
Molecular Informatics|August 3, 2016
Predicting pKa Values in Aqueous Solution for the Guanidine Functional Group from Gas Phase Ab Initio Bond LengthsMark Z Griffiths, Ibon Alkorta, Paul L A Popelier
Molecular Informatics|August 3, 2016
Activity Landscapes, Information Theory, and Structure - Activity RelationshipsPreeti Iyer, Dagmar Stumpfe, Martin Vogt, et al.
Molecular Informatics|August 3, 2016
A Large-Scale Empirical Evaluation of Cross-Validation and External Test Set Validation in (Q)SARMartin Gütlein, Christoph Helma, Andreas Karwath, et al.
Molecular Informatics|August 3, 2016
Key Structural Features of Azanaphthoquinone Annelated Pyrrole Derivative as Anticancer Agents Based on the Rational Drug Design ApproachesPharit Kamsri, Auradee Punkvang, Nipawan Pongprom, et al.
Molecular Informatics|August 3, 2016
Rough Set Theory as an Interpretable Method for Predicting the Inhibition of Cytochrome P450 1A2 and 2D6Julien Burton, Joachim Petit, Emeric Danloy, et al.
Molecular Informatics|August 3, 2016
Exploring the Molecular Basis of Qo bc1 Complex Inhibitors Activity to Find Novel Antimalarials HitsMarta P Carrasco, Jiri Gut, Tiago Rodrigues, et al.
Molecular Informatics|August 5, 2016
Design of Novel Mycobacterium tuberculosis Pantothenate Synthetase Inhibitors: Virtual Screening, Synthesis and In Vitro Biological ActivitiesParthiban Brindha Devi, Sridhar Jogula, Asireddy Parameshwar Reddy, et al.
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