Valery R. Polyakov

According to our database, Valery R. Polyakov authored at least 8 papers between 2011 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset.

Xiang-Wei Zhu, Valery R. Polyakov, Krishna Bajjuri, Huiyong Hu, Andreas Maderna, Clare A. Tovee, Suzanna C. Ward

J. Chem. Inf. Model., May, 2023

2022

Indexing Ultrafast Shape-Based Descriptors in MongoDB to Identify TLR4 Pathway Agonists.

Valery R. Polyakov, Vadim Alexandrov, Andreas Maderna, Krishna Bajjuri, Xiaofan Li, Sihong Zhou

J. Chem. Inf. Model., 2022

2019

All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC50s for 8558 Novartis Assays.

Eric J. Martin, Valery R. Polyakov, Xiang-Wei Zhu, Li Tian, Prasenjit Mukherjee, Xin Liu

J. Chem. Inf. Model., 2019

2017

Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC₅₀s for Realistically Novel Compounds.

Eric J. Martin, Valery R. Polyakov, Li Tian, Rolando C. Perez

J. Chem. Inf. Model., August, 2017

In silico generation of novel, drug-like chemical matter using the LSTM neural network.

Peter Ertl, Richard Lewis, Eric J. Martin, Valery R. Polyakov

CoRR, 2017

2015

FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists.

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

J. Chem. Inf. Model., 2015

2014

Enrichment Analysis for Discovering Biological Associations in Phenotypic Screens.

Valery R. Polyakov, Neil D. Moorcroft, Amar Drawid

J. Chem. Inf. Model., 2014

2011

Web services as applications' integration tool: QikProp case study.

Abdel Laoui, Valery R. Polyakov

J. Comput. Chem., 2011