Publications by authors named "Valery R. Polyakov"

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Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset.
Xiangwei Zhu, Valery R Polyakov, Krishna Bajjuri, Huiyong Hu, Andreas Maderna

J Chem Inf Model· May 2023

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Indexing Ultrafast Shape-Based Descriptors in MongoDB to Identify TLR4 Pathway Agonists.
Valery R Polyakov, Vadim Alexandrov, Andreas Maderna, Krishna Bajjuri, Xiaofan Li

J Chem Inf Model· May 2022

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All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration ICs for 8558 Novartis Assays.
Eric J Martin, Valery R Polyakov, Xiang-Wei Zhu, Li Tian, Prasenjit Mukherjee

J Chem Inf Model· October 2019

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Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration ICs for Realistically Novel Compounds.
Eric J Martin, Valery R Polyakov, Li Tian, Rolando C Perez

J Chem Inf Model· August 2017

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Enrichment analysis for discovering biological associations in phenotypic screens.
Valery R Polyakov, Neil D Moorcroft, Amar Drawid

J Chem Inf Model· February 2014

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Web services as applications' integration tool: QikProp case study.
Abdel Laoui, Valery R Polyakov

J Comput Chem· July 2011

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Synthesis, characterization, and molecular structure of a gallium(III) complex of an amine-phenol ligand with activity against chloroquine-sensitive Plasmodium falciparum strains.
Joseph A Ocheskey, Valery R Polyakov, Scott E Harpstrite, Anna Oksman, Daniel E Goldberg

J Inorg Biochem· January 2003

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Synthesis, Molecular Structure, and Properties of a Neutral Schiff Base Phenolic Complex of Magnesium.
Valery R. Polyakov, Vijay Sharma, Carolyn L. Crankshaw, David Piwnica-Worms

Inorg Chem· September 1998

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