Search Results - "Polyakov, Valery"

All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC50s for 8558 Novartis Assays by Martin, Eric J, Polyakov, Valery R, Zhu, Xiang-Wei, Tian, Li, Mukherjee, Prasenjit, Liu, Xin

“…Profile-quantitative structure–activity relationship (pQSAR) is a massively multitask, two-step machine learning method with unprecedented scope, accuracy, and…”
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Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC50s for Realistically Novel Compounds by Martin, Eric J, Polyakov, Valery R, Tian, Li, Perez, Rolando C

“…While conventional random forest regression (RFR) virtual screening models appear to have excellent accuracy on random held-out test sets, they prove lacking…”
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Indexing Ultrafast Shape-Based Descriptors in MongoDB to Identify TLR4 Pathway Agonists by Polyakov, Valery R., Alexandrov, Vadim, Maderna, Andreas, Bajjuri, Krishna, Li, Xiaofan, Zhou, Sihong

“…A method is presented for an ultrafast shape-based search workflow for the screening of large compound collections, i.e., those of vendors. The…”
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Building Machine Learning Small Molecule Melting Points and Solubility Models Using CCDC Melting Points Dataset by Zhu, Xiangwei, Polyakov, Valery R., Bajjuri, Krishna, Hu, Huiyong, Maderna, Andreas, Tovee, Clare A., Ward, Suzanna C.

“…Predicting solubility of small molecules is a very difficult undertaking due to the lack of reliable and consistent experimental solubility data. It is well…”
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Antitumor Properties of RAF709, a Highly Selective and Potent Inhibitor of RAF Kinase Dimers, in Tumors Driven by Mutant RAS or BRAF by Shao, Wenlin, Mishina, Yuji M, Feng, Yun, Caponigro, Giordano, Cooke, Vesselina G, Rivera, Stacy, Wang, Yingyun, Shen, Fang, Korn, Joshua M, Mathews Griner, Lesley A, Nishiguchi, Gisele, Rico, Alice, Tellew, John, Haling, Jacob R, Aversa, Robert, Polyakov, Valery, Zang, Richard, Hekmat-Nejad, Mohammad, Amiri, Payman, Singh, Mallika, Keen, Nicholas, Dillon, Michael P, Lees, Emma, Ramurthy, Savithri, Sellers, William R, Stuart, Darrin D

“…Resistance to the RAF inhibitor vemurafenib arises commonly in melanomas driven by the activated BRAF oncogene. Here, we report antitumor properties of RAF709,…”
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Web services as applications' integration tool: QikProp case study by Laoui, Abdel, Polyakov, Valery R.

“…Web services are a new technology that enables to integrate applications running on different platforms by using primarily XML to enable communication among…”
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All-Assay-Max2 pQSAR: Activity Predictions as Accurate as Four-Concentration IC 50 s for 8558 Novartis Assays by Martin, Eric J, Polyakov, Valery R, Zhu, Xiang-Wei, Tian, Li, Mukherjee, Prasenjit, Liu, Xin

“…Profile-quantitative structure-activity relationship (pQSAR) is a massively multitask, two-step machine learning method with unprecedented scope, accuracy, and…”
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Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC 50 s for Realistically Novel Compounds by Martin, Eric J, Polyakov, Valery R, Tian, Li, Perez, Rolando C

“…While conventional random forest regression (RFR) virtual screening models appear to have excellent accuracy on random held-out test sets, they prove lacking…”
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X‐ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan–McDermid Syndrome by Kallen, Joerg, Bergsdorf, Christian, Arnaud, Bertrand, Bernhard, Mario, Brichet, Murielle, Cobos‐Correa, Amanda, Elhajouji, Azeddine, Freuler, Felix, Galimberti, Ivan, Guibourdenche, Christel, Haenni, Simon, Holzinger, Sandra, Hunziker, Juerg, Izaac, Aude, Kaufmann, Markus, Leder, Lukas, Martus, Hans‐Joerg, von Matt, Peter, Polyakov, Valery, Roethlisberger, Patrik, Roma, Guglielmo, Stiefl, Nikolaus, Uteng, Marianne, Lerchner, Andreas

“…CLK2 inhibition has been proposed as a potential mechanism to improve autism and neuronal functions in Phelan–McDermid syndrome (PMDS). Herein, the discovery…”
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Enrichment Analysis for Discovering Biological Associations in Phenotypic Screens by Polyakov, Valery R, Moorcroft, Neil D, Drawid, Amar

“…A phenotypic screen (PS) is used to identify compounds causing a desired phenotype in a complex biological system where mechanisms and targets are largely…”
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Acoustic conductance of a thick-walled anisotropic spherical shell submerged in liquid by Polyakov, Valery, Chatys, Rafał

“…In order to provide knowledge on the intensity of sound transmission through the whole thickness of an isotropic spherical shell its vibrations are resolved on…”
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Over 14-year survival of pressed e.max lithium disilicate glass-ceramic complete and partial coverage restorations in patients with severe wear: A prospective clinical study by Margvelashvili-Malament, Mariam, Thompson, Van, Polyakov, Valery, Malament, Kenneth A.

“…Long-term clinical data are lacking on the comparative survival of adhesively luted lithium disilicate glass-ceramic complete and partial coverage restorations…”
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Decision support systems in drug discovery by Shen, Jian, Polyakov, Valery, Rachapudi, Ramesh, You, Tony

“…Decision support systems have been widely used in drug discovery owing to the complexity of data and information involved. In this article, we review both…”
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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 by Ocheskey, Joseph A., Polyakov, Valery R., Harpstrite, Scott E., Oksman, Anna, Goldberg, Daniel E., Piwnica-Worms, David, Sharma, Vijay

“…Emergence of chloroquine-resistant Plasmodium falciparum strains necessitates discovery of novel antimalarial drugs, especially if the agents can be…”
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Incidence of endodontic therapy after complete or partial coverage glass-ceramic restorations with a follow-up time of over 30 years: A prospective clinical study by Malament, Kenneth A., Margvelashvili-Malament, Mariam, Natto, Zuhair S., Polyakov, Valery, Thompson, Van, Rekow, Dianne

“…Long-term clinical data are lacking on the comparison of the incidence of endodontic therapy in adhesively luted complete and partial coverage glass-ceramic…”
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Design and Discovery of N‑(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic by Ramurthy, Savithri, Taft, Benjamin R, Aversa, Robert J, Barsanti, Paul A, Burger, Matthew T, Lou, Yan, Nishiguchi, Gisele A, Rico, Alice, Setti, Lina, Smith, Aaron, Subramanian, Sharadha, Tamez, Victoriano, Tanner, Huw, Wan, Lifeng, Hu, Cheng, Appleton, Brent A, Mamo, Mulugeta, Tandeske, Laura, Tellew, John E, Huang, Shenlin, Yue, Qin, Chaudhary, Apurva, Tian, Hung, Iyer, Raman, Hassan, A. Quamrul, Mathews Griner, Lesley A, La Bonte, Laura R, Cooke, Vesselina G, Van Abbema, Anne, Merritt, Hanne, Gampa, Kalyani, Feng, Fei, Yuan, Jing, Mishina, Yuji, Wang, Yingyun, Haling, Jacob R, Vaziri, Sepideh, Hekmat-Nejad, Mohammad, Polyakov, Valery, Zang, Richard, Sethuraman, Vijay, Amiri, Payman, Singh, Mallika, Sellers, William R, Lees, Emma, Shao, Wenlin, Dillon, Michael P, Stuart, Darrin D

“…Direct pharmacological inhibition of RAS has remained elusive, and efforts to target CRAF have been challenging due to the complex nature of RAF signaling,…”
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Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC^sub 50^s for Realistically Novel Compounds by Martin, Eric J, Polyakov, Valery R, Tian, Li, Perez, Rolando C

“…While conventional random forest regression (RFR) virtual screening models appear to have excellent accuracy on random held-out test sets, they prove lacking…”
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Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria by Moreau, Robert J, Skepper, Colin K, Appleton, Brent A, Blechschmidt, Anke, Balibar, Carl J, Benton, Bret M, Drumm, Joseph E, Feng, Brian Y, Geng, Mei, Li, Cindy, Lindvall, Mika K, Lingel, Andreas, Lu, Yipin, Mamo, Mulugeta, Mergo, Wosenu, Polyakov, Valery, Smith, Thomas M, Takeoka, Kenneth, Uehara, Kyoko, Wang, Lisha, Wei, Jun-Rong, Weiss, Andrew H, Xie, Lili, Xu, Wenjian, Zhang, Qiong, de Vicente, Javier

“…The discovery and development of new antibiotics capable of curing infections due to multidrug-resistant and pandrug-resistant Gram-negative bacteria are a…”
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Synthesis, Molecular Structure, and Properties of a Neutral Schiff Base Phenolic Complex of Magnesium by Polyakov, Valery R, Sharma, Vijay, Crankshaw, Carolyn L, Piwnica-Worms, David

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Design and Discovery of N‑(2-Methyl-5′-morpholino-6′-((tetrahydro‑2H‑pyran-4-yl)oxy)-[3,3′-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers by Nishiguchi, Gisele A, Rico, Alice, Tanner, Huw, Aversa, Robert J, Taft, Benjamin R, Subramanian, Sharadha, Setti, Lina, Burger, Matthew T, Wan, Lifeng, Tamez, Victoriano, Smith, Aaron, Lou, Yan, Barsanti, Paul A, Appleton, Brent A, Mamo, Mulugeta, Tandeske, Laura, Dix, Ina, Tellew, John E, Huang, Shenlin, Mathews Griner, Lesley A, Cooke, Vesselina G, Van Abbema, Anne, Merritt, Hanne, Ma, Sylvia, Gampa, Kalyani, Feng, Fei, Yuan, Jing, Wang, Yingyun, Haling, Jacob R, Vaziri, Sepideh, Hekmat-Nejad, Mohammad, Jansen, Johanna M, Polyakov, Valery, Zang, Richard, Sethuraman, Vijay, Amiri, Payman, Singh, Mallika, Lees, Emma, Shao, Wenlin, Stuart, Darrin D, Dillon, Michael P, Ramurthy, Savithri

“…RAS oncogenes have been implicated in >30% of human cancers, all representing high unmet medical need. The exquisite dependency on CRAF kinase in KRAS mutant…”
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