Publications by authors named "Dmitriy Chekmarev"

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Imputation of sensory properties using deep learning.
Samar Mahmoud, Benedict Irwin, Dmitriy Chekmarev, Shyam Vyas, Jeff Kattas

J Comput Aided Mol Des· November 2021

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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Dmitriy Chekmarev

J Comput Aided Mol Des· June 2011

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Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors.
Dmitriy Chekmarev, Vladyslav Kholodovych, Sandhya Kortagere, William J Welsh, Sean Ekins

Pharm Res· September 2009

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Hybrid scoring and classification approaches to predict human pregnane X receptor activators.
Sandhya Kortagere, Dmitriy Chekmarev, William J Welsh, Sean Ekins

Pharm Res· April 2009

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New predictive models for blood-brain barrier permeability of drug-like molecules.
Sandhya Kortagere, Dmitriy Chekmarev, William J Welsh, Sean Ekins

Pharm Res· August 2008

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Shape signatures: new descriptors for predicting cardiotoxicity in silico.
Dmitriy S Chekmarev, Vladyslav Kholodovych, Konstantin V Balakin, Yan Ivanenkov, Sean Ekins

Chem Res Toxicol· June 2008

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Prediction of Protein Loop Conformations using the AGBNP Implicit Solvent Model and Torsion Angle Sampling.
Anthony K Felts, Emilio Gallicchio, Dmitriy Chekmarev, Kristina A Paris, Richard A Friesner

J Chem Theory Comput· January 2008

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Polyfunctional compounds containing the 4,6-dialkoxy-7-arylthioheptene moiety as synthetically useful intermediates. The course of lewis acid-induced transformations.
Dmitriy S Chekmarev, Margarita I Lazareva, Georgy V Zatonsky, Andrei V Maskaev, Ron Caple

J Org Chem· November 2002

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