Search Result "PubChem structures prediction."


Comparative Modeling: The State of the Art and Protein Drug Target Structure Prediction

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 532-547
Author(s): Tianyun Liu, Grace W. Tang, Emidio Capriotti

QSAR in Flavonoids by Similarity Cluster Prediction

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 115-128
Author(s): Alexandra M. Harsa,Teodora E. Harsa,Sorana D. Bolboaca,Mircea V. Diudea

Integrative Approaches for Predicting In Vivo Effects of Chemicals from their Structural Descriptors and the Results of Short-Term Biological Assays

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1356-1364
Author(s): Yen Sia Low,Alexander Yeugenyevich Sedykh,Ivan Rusyn,Alexander Tropsha

Research Article

Molecular Docking for Prediction and Interpretation of Adverse Drug Reactions

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 5 Year: 2018 Page: 314-322
Author(s): Heng Luo,Achille Fokoue-Nkoutche,Nalini Singh,Lun Yang,Jianying Hu,Ping Zhang

Impact of Computational Structure-Based Predictive Toxicology in Drug Discovery

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 5 Year: 2011 Page: 417-426
Author(s): Chethampadi Gopi Mohan

Prediction of Compounds with Specific Pharmacodynamic, Pharmacokinetic or Toxicological Property by Statistical Learning Methods

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 6 Issue: 4 Year: 2006 Page: 449-459
Author(s): C. W. Yap, Y. Xue, H. Li, Z. R. Li, C. Y. Ung, L. Y. Han, C. J. Zheng, Z. W. Cao, Y. Z. Chen

Review Article

Survey of Similarity-Based Prediction of Drug-Protein Interactions

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 35 Year: 2020 Page: 5856-5886
Author(s): Chen Wang,Lukasz Kurgan

Computer Prediction of Cardiovascular and Hematological Agents by Statistical Learning Methods

Journal: Cardiovascular & Hematological Agents in Medicinal Chemistry
Volume: 5 Issue: 1 Year: 2007 Page: 11-19
Author(s): X. Chen, H. Li, C. W. Yap, C. Y. Ung, L. Jiang, Z. W. Cao, Y. X. Li, Y. Z. Chen

Complementarity Between Public and Commercial Databases: New Opportunities in Medicinal Chemistry Informatics

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1502-1508
Author(s): Christopher Southan, Peter Varkonyi, Sorel Muresan

From Laptop to Benchtop to Bedside: Structure-based Drug Design on Protein Targets

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1217-1239
Author(s): Lu Chen, John K. Morrow, Hoang T. Tran, Sharangdhar S. Phatak, Lei Du-Cuny, Shuxing Zhang

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