Yuri I. Binev

Rede de Química e Tecnologia — Portugal

Materials Science · Physical Sciences

14h-index598citations27works0.52yr avg
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Research Topics

Nonlinear Optical Materials Research(12), Structural and Chemical Analysis of Organic and Inorganic Compounds(7), Computational Drug Discovery Methods(5), Photochemistry and Electron Transfer Studies(5), Chemical Reaction Mechanisms(5)

Publications27 total

A Chemoinformatics Investigation of Spectral and Quantum Chemistry Patterns for Discovering New Drug Leads from Natural Products Targeting the PD-1/PD-L1 Immune Checkpoint, with a Particular Focus on Naturally Occurring Marine Products
Marine Drugs·2025· 1 citedOpen Access
A Chemoinformatics Investigation of Spectral and Quantum Chemistry Patterns for Discovering New Drug Leads from Marine Natural Products Targeting the PD-1/PD-L1 Immune Checkpoint
Preprints.org·2025Open Access
NavMol 3.0: enabling the representation of metabolic reactions by blind users
Bioinformatics·2017· 5 citedOpen Access
2D spatial audio in a molecular navigator/editor for blind and visually impaired users
2017
Prediction of <sup>1</sup>H NMR Coupling Constants with Associative Neural Networks Trained for Chemical Shifts
Journal of Chemical Information and Modeling·2007· 74 cited
Structure-based predictions of 1H NMR chemical shifts of sesquiterpene lactones using neural networks
Tetrahedron Letters·2004· 11 cited
Spectrochemical, ab initio and density functional studies on the conversion of 2-hydroxybenzonitrile (o-cyanophenol) into the oxyanion
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2004· 50 cited
Structure-Based Predictions of <sup>1</sup>H NMR Chemical Shifts Using Feed-Forward Neural Networks
Journal of Chemical Information and Computer Sciences·2004· 62 cited
The Impact of Available Experimental Data on the Prediction of <sup>1</sup>H NMR Chemical Shifts by Neural Networks
Journal of Chemical Information and Computer Sciences·2004· 26 cited
The formation and isomerization of 3-amino-2-butenenitrile (diacetonitrile) and its anion, followed by IR spectra, ab initio and DFT force field calculations
Journal of Molecular Structure THEOCHEM·2003· 8 cited
The conversion of phenylpropanedinitrile (phenylmalononitrile) into the carbanion, followed by IR spectra, ab initio and DFT force field calculations
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2003· 26 cited
Ab initio, DFT and experimental studies on the IR spectra and structure of propanedinitrile (malononitrile) and its carbanion
Journal of Molecular Structure THEOCHEM·2003· 21 cited
A NEW APPROACH TO THE DETECTION AND DETERMINATION OF o-CHLOROBENZYLIDENE-MALONONITRILE (CS) AND ITS CHEMICAL RELATIVES
Spectroscopy Letters·2002· 3 cited
Experimental and ab initio MO studies on the IR spectra and structure of pyridinium dicyanomethylide and trimethylammonium dicyanomethylide
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2001· 10 cited
Ab initio MO and experimental studies on the vibrational spectra and structure of 4-hydroxybenzonitrile and of its anion
Journal of Molecular Structure THEOCHEM·2001· 29 cited
The formation and isomerization of the sodium methoxide adducts of cinnamylidenemalononitrile, followed by IR spectra and ab initio force field calculations
Journal of Molecular Structure THEOCHEM·2000· 3 cited
Ab initio HF, density functional and experimental studies on the IR spectra and structure of 1,2-benzisothiazol-3-(2H)-thione-1,1-dioxide (thiosacchanin) and its nitranion
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy·2000· 30 cited
IR spectra and structure of (4-nitrophenyl)acetonitrile and of its carbanion: experimental and ab initio studies
Journal of Molecular Structure·2000· 12 cited
IR spectra and structure of 2,5-pyrrolidinedione (succinimide) and of its nitranion: experimental and ab initio MO studies
Journal of Molecular Structure·2000· 36 cited
IR spectra and structure of 1-H-isoindole-1,3(2H)-dione (phthalimide), cis-hexahydro-1-H-isoindole-1,3(2H)-dione (hexahydrophthalimide) and of their nitranions
Journal of Molecular Structure·1999· 20 cited
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Frequent Co-authors

I.G. Binev(13), Bistra A. Stamboliyska(7), João Aires‐de‐Sousa(6), I. Juchnovski(5), Jordan A. Tsenov(4), Florbela Pereira(4), Miglena K. Georgieva(3), Snezhana I Novkova(2), Evelina Velcheva(2), Daniela Peixoto(2), Ian Rodrigues(2), Sofia Cavaco(2), Ana M. Lobo(2), Henrique Rabelo(2), Ayana Tsimiante(2), M. Manuel B. Marques(1), Pavlina Vassileva-Boyadjieva(1), Lalka I. Daskalova(1), V. Radomirska(1), Christo Petkov(1)