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Molecular Informatics|August 4, 2016
Global Model for Octanol-Water Partition Coefficients from Proton Nuclear Magnetic Resonance SpectraNan An, Farid Van Der Mei, Adelina Voutchkova-Kostal
Molecular Informatics|August 4, 2016
TriClust: A Tool for Cross-Species Analysis of Gene RegulationDuygu Dede, Hasan Oğul
Molecular Informatics|August 4, 2016
Future De Novo Drug DesignGisbert Schneider
Molecular Informatics|August 4, 2016
Bioisosteres and Scaffold Hopping in Medicinal ChemistryNathan Brown
Molecular Informatics|August 4, 2016
A Short Review of Chemical Reaction Database Systems, Computer-Aided Synthesis Design, Reaction Prediction and Synthetic FeasibilityWendy A Warr
Molecular Informatics|August 4, 2016
A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity RelationshipJun Yan, Wei-Wei Zhu, Bo Kong, et al.
Molecular Informatics|August 4, 2016
Compound Structure-Independent Activity Prediction in High-Dimensional Target SpaceJenny Balfer, Ye Hu, Jürgen Bajorath
Molecular Informatics|August 4, 2016
Discovery of Novel Mycobacterial DNA Gyrase B Inhibitors: In Silico and In Vitro Biological EvaluationShalini Saxena, Janupally Renuka, Perumal Yogeeswari, et al.
Molecular Informatics|August 4, 2016
Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3βGang Fu, Prasanna Sivaprakasam, Olivia R Dale, et al.
Molecular Informatics|February 7, 2025
KNIME Workflows for Chemoinformatic Characterization of Chemical DatabasesCarlos D Ramírez-Márquez, José L Medina-Franco
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