Dmitriy S. Chekmarev

International Flavors & Fragrances (United States) — United States

Earth and Planetary Sciences · Physical Sciences

16h-index1.4kcitations32works0.02yr avg
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Research Topics

nanoparticles nucleation surface interactions(11), Computational Drug Discovery Methods(8), Advanced Chemical Physics Studies(7), Thermodynamic and Structural Properties of Metals and Alloys(5), Synthesis and Reactivity of Heterocycles(4)

Publications32 total

Discovery of flavouring compounds to substitute fatty and tallow characteristics in plant‐based patties
International Journal of Food Science & Technology·2022· 3 cited
Author response for "Discovery of flavouring compounds to substitute fatty and tallow characteristics in plant based patties"
2022
Imputation of sensory properties using deep learning
Journal of Computer-Aided Molecular Design·2021· 14 citedOpen Access
Imputation of Sensory Properties Using Deep Learning
2021Open Access
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
Journal of Computer-Aided Molecular Design·2011· 655 citedOpen Access
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
Journal of Cheminformatics·2011· 25 citedOpen Access
Predicting Inhibitors of Acetylcholinesterase by Regression and Classification Machine Learning Approaches with Combinations of Molecular Descriptors
Pharmaceutical Research·2009· 30 cited
Hybrid Scoring and Classification Using Shape-Based Approaches to Predict Human PXR Activators
Biophysical Journal·2009Open Access
Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor Activators
Pharmaceutical Research·2008· 57 citedOpen Access
Shape Signatures: New Descriptors for Predicting Cardiotoxicity In Silico
Chemical Research in Toxicology·2008· 66 citedOpen Access
ChemInform Abstract: One‐Pot Four‐Component Reaction for the Generation of Pyrazoles and Pyrimidines.
ChemInform·2008
Prediction of Protein Loop Conformations Using the AGBNP Implicit Solvent Model and Torsion Angle Sampling
Journal of Chemical Theory and Computation·2008· 63 citedOpen Access
New Predictive Models for Blood–Brain Barrier Permeability of Drug-like Molecules
Pharmaceutical Research·2008· 103 citedOpen Access
One-Pot Four-Component Reaction for the Generation of Pyrazoles and Pyrimidines
Synlett·2007· 45 cited
Quantum Monte Carlo simulations of the structure in the liquid-vapor interface of BiGa binary alloys
2007· 1 cited
Highly Selective Substitutions in 2,3‐Dichloropyrazine. A Novel General Approach to Aloisines.
ChemInform·2007
Highly selective substitutions in 2,3-dichloropyrazine. A novel general approach to aloisines
Tetrahedron·2006· 17 cited
Highly Selective Mono‐Substitution in Pd‐Catalyzed Cross‐Coupling Reactions of 3,6‐Dichloropyridazine with Organozinc Compounds.
ChemInform·2005
Highly selective mono-substitution in Pd-catalyzed cross-coupling reactions of 3,6-dichloropyridazine with organozinc compounds
Tetrahedron Letters·2005· 21 cited
Long-Time Conformational Transitions of Alanine Dipeptide in Aqueous Solution:  Continuous and Discrete-State Kinetic Models
The Journal of Physical Chemistry B·2004· 88 cited
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Frequent Co-authors

Stuart A. Rice(10), Meishan Zhao(7), William J. Welsh(6), Sean Ekins(5), Vladyslav Kholodovych(4), Sandhya Kortagere(4), Alexander E. Stepanov(4), Alexander N. Kasatkin(4), Iurii Sushko(2), Sergii Novotarskyi(2), Robert Körner(2), Matthias Rupp(2), Wolfram Teetz(2), Stefan Brandmaier(2), Roberto Todeschini(2), Alexandre Varnek(2), Gilles Marcou(2), Peter Ertl(2), Vladimir Potemkin(2), Maria Grishina(2)