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Molecular Informatics|August 3, 2021
Ambit-SLN: an Open Source Software Library for Processing of Chemical Objects via SLN Linear NotationNikolay Kochev, Nina Jeliazkova, Gergana Tancheva
Molecular Informatics|July 28, 2016
Wavelet Approximation of GRID Fields: Application to Quantitative Structure-Activity RelationshipsRichard L Martin, Eleanor Gardiner, Valerie J Gillet, et al.
Molecular Informatics|July 28, 2016
3D-QSAR Studies on C24-Monoalkylated Vitamin D3 26,23-Lactones and their C2α-Modified Derivatives with Inhibitory Activity to Vitamin D ReceptorJinhu Wang, Ke Tang, Qianqian Hou, et al.
Molecular Informatics|July 28, 2016
Drug-Target NetworksIngo Vogt, Jordi Mestres
Molecular Informatics|July 28, 2016
Probing Small-Molecule Binding to the Liver-X Receptor: A Mixed-Model QSAR StudyMorena Spreafico, Martin Smiesko, Ourania Peristera, et al.
Molecular Informatics|July 28, 2016
A Statistical Survey on the Binding Constants of Covalently Bound Protein-Ligand ComplexesXun Li, Zhihai Liu, Yan Li, et al.
Molecular Informatics|July 28, 2016
Exhaustive Structure Generation for Inverse-QSPR/QSARTomoyuki Miyao, Masamoto Arakawa, Kimito Funatsu
Molecular Informatics|July 28, 2016
Missing Value Estimation for Compound-Target Activity DataYusuf Tanrikulu, Rama Kondru, Gisbert Schneider, et al.
Molecular Informatics|July 28, 2016
Quantitative Structure-Fluorescence Property Relationship Analysis of a Large BODIPY LibraryAndreas Schüller, Garrett Benjamin Goh, Hanjo Kim, et al.
Molecular Informatics|July 29, 2016
BIGCHEM: Challenges and Opportunities for Big Data Analysis in ChemistryIgor V Tetko, Ola Engkvist, Uwe Koch, et al.
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