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Molecular Informatics|August 6, 2016
Machine Learning Estimation of Atom Condensed Fukui FunctionsQingyou Zhang, Fangfang Zheng, Tanfeng Zhao, et al.
Molecular Informatics|August 6, 2016
Classification of Mixtures of Chinese Herbal Medicines Based on a Self-organizing Map (SOM)Maolin Wang, Li Li, Changyuan Yu, et al.
Molecular Informatics|August 6, 2016
Using Support Vector Machine (SVM) for Classification of Selectivity of H1N1 Neuraminidase InhibitorsYang Li, Yue Kong, Mengdi Zhang, et al.
Molecular Informatics|August 6, 2016
Advances in Activity Cliff ResearchDilyana Dimova, Jürgen Bajorath
Molecular Informatics|August 6, 2016
Designing Multi-target Compound Libraries with Gaussian Process ModelsMichael Bieler, Michael Reutlinger, Tiago Rodrigues, et al.
Molecular Informatics|August 6, 2016
In silico and in vitro Studies on Begomovirus Induced Andrographolide Biosynthesis Pathway in Andrographis Paniculata for Combating Inflammation and CancerAsifa Khan, Pooja Sharma, Feroz Khan, et al.
Molecular Informatics|August 6, 2016
Guided Iterative Substructure Search (GI-SSS) - A New Trick for an Old DogNils Weskamp
Molecular Informatics|August 13, 2016
CGBVS-DNN: Prediction of Compound-protein Interactions Based on Deep LearningMasatoshi Hamanaka, Kei Taneishi, Hiroaki Iwata, et al.
Molecular Informatics|August 3, 2016
Quantitative Evaluation and Prediction of Drug Effects and Toxicological Risk Using Mechanistic Multiscale ModelsJens Niklas, Juan G Diaz Ochoa, Joachim Bucher, et al.
Molecular Informatics|August 3, 2016
Computational Study of Drugs by Integrating Omics Data with Kernel MethodsYongcui C Wang, Naiyang Deng, Shilong Chen, et al.
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