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ORCIDValery R. Polyakov
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Journal Articles
- 2023
[j7]Xiang-Wei Zhu
, Valery R. Polyakov, Krishna Bajjuri, Huiyong Hu, Andreas Maderna, Clare A. Tovee, Suzanna C. Ward:
Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset. J. Chem. Inf. Model. 63(10): 2948-2959 (2023)- 2022
- [j6]Valery R. Polyakov, Vadim Alexandrov, Andreas Maderna, Krishna Bajjuri, Xiaofan Li, Sihong Zhou:
Indexing Ultrafast Shape-Based Descriptors in MongoDB to Identify TLR4 Pathway Agonists. J. Chem. Inf. Model. 62(10): 2446-2455 (2022) - 2019
- [j5]Eric J. Martin, Valery R. Polyakov, Xiang-Wei Zhu, Li Tian, Prasenjit Mukherjee, Xin Liu:
All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC50s for 8558 Novartis Assays. J. Chem. Inf. Model. 59(10): 4450-4459 (2019) - 2017
- [j4]Eric J. Martin, Valery R. Polyakov, Li Tian, Rolando C. Perez:
Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC50s for Realistically Novel Compounds. J. Chem. Inf. Model. 57(8): 2077-2088 (2017) - 2015
- [j3]Nikolaus Stiefl, Peter Gedeck, Donovan Chin, Peter Hunt, Mika K. Lindvall, Katrin Spiegel, Clayton Springer, Scott Biller, Christoph L. Buenemann, Takanori Kanazawa, Mitsunori Kato, Richard A. Lewis, Eric J. Martin, Valery R. Polyakov, Ruben Tommasi, John H. Van Drie, Brian Vash, Lewis Whitehead, Yongjin Xu, Ruben Abagyan, Eugene Raush, Maxim Totrov:
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. J. Chem. Inf. Model. 55(4): 896-908 (2015) - 2014
- [j2]Valery R. Polyakov, Neil D. Moorcroft, Amar Drawid:
Enrichment Analysis for Discovering Biological Associations in Phenotypic Screens. J. Chem. Inf. Model. 54(2): 377-386 (2014) - 2011
- [j1]Abdel Laoui, Valery R. Polyakov:
Web services as applications' integration tool: QikProp case study. J. Comput. Chem. 32(9): 1944-1951 (2011)
Informal and Other Publications
- 2017
- [i1]Peter Ertl, Richard Lewis, Eric J. Martin, Valery R. Polyakov:
In silico generation of novel, drug-like chemical matter using the LSTM neural network. CoRR abs/1712.07449 (2017)
Coauthor Index
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