"Solved And Unsolved Problems Of Structural Chemistry" By Milan Randic, Marjana Novic, And Dejan Plavsic Crc Press, Boca Raton, 2016, Xx+472 Pp. Isbn 13-978-1-4987-1151-7 | 0 | 0.34 | 2019 |
Notes on quantitative structure-property relationships (QSPR), part 3: density functions origin shift as a source of quantum QSPR algorithms in molecular spaces. | 1 | 0.49 | 2013 |
Communications on quantum similarity, part 3: a geometric-quantum similarity molecular superposition algorithm. | 1 | 0.37 | 2011 |
Commentaries on quantum similarity (1): Density gradient quantum similarity. | 2 | 0.40 | 2010 |
Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures. | 2 | 0.40 | 2010 |
Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. | 2 | 0.78 | 2009 |
Notes on quantitative structure-properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution. | 3 | 0.53 | 2009 |
Notes on quantitative structure-properties relationships (QSPR) part 2: the role of the number of atoms as a molecular descriptor. | 2 | 0.38 | 2009 |
Aromaticity in linear polyacenes: generalized population analysis and molecular quantum similarity approach. | 6 | 1.12 | 2007 |
Toward an Alternative Hardness Kernel Matrix Structure in the Electronegativity Equalization Method (EEM). | 4 | 0.49 | 2006 |
Coulomb and Overlap Self-Similarities: A Comparative Selectivity Analysis of Structure-Function Relationships for Auxin-like Molecules. | 0 | 0.34 | 2006 |
Maximal probability domains in linear molecules. | 3 | 1.40 | 2005 |
TGSA-Flex: Extending the capabilities of the Topo-Geometrical Superposition Algorithm to handle flexible molecules. | 5 | 0.45 | 2004 |
Molecular Quantum Similarity Analysis of Estrogenic Activity. | 3 | 2.59 | 2003 |
Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets J. Chem. Inf. Comput. Sci. 42, 1185-1193 (2002) | 1 | 0.35 | 2003 |
Molecular basis of LFER. Modeling of the electronic substituent effect using fragment quantum self-similarity measures. | 3 | 0.41 | 2003 |
Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme for Molecular Alignment and Molecular Similarity Based on Quantum Chemistry. | 5 | 0.49 | 2003 |
Fast Calculation of Quantum Chemical Molecular Descriptors from the Electronegativity Equalization Method. | 6 | 0.87 | 2003 |
Molecular quantum similarity matrix based clustering of molecules using dendrograms. | 7 | 0.69 | 2003 |
Chemical structures from the analysis of domain-averaged Fermi holes: multiple metal-metal bonding in transition metal compounds. | 3 | 0.79 | 2003 |
Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarity. | 5 | 0.49 | 2003 |
Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets. | 2 | 0.37 | 2002 |
Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. | 2 | 0.39 | 2002 |
Using molecular quantum similarity measures under stochastic transformation to describe physical properties of molecular systems. | 1 | 0.36 | 2002 |
Modeling Large Macromolecular Structures Using Promolecular Densities. | 3 | 0.39 | 2002 |
TGSA: A molecular superposition program based on topo-geometrical considerations. | 11 | 0.73 | 2001 |
Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. | 5 | 0.43 | 2001 |
Antimalarial activity of synthetic 1,2,4-trioxanes and cyclic peroxy ketals, a quantum similarity study. | 1 | 0.35 | 2001 |
Structure-toxicity relationships of polycyclic aromatic hydrocarbons using molecular quantum similarity | 2 | 0.57 | 2001 |
Quantification of the influence of single-point mutations on haloalkane dehalogenase activity: a molecular quantum similarity study. | 2 | 0.43 | 2000 |
Molecular Electronic Density Fitting Using Elementary Jacobi Rotations under Atomic Shell Approximation | 7 | 0.53 | 2000 |
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies. | 9 | 0.77 | 2000 |
Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR. | 3 | 0.40 | 2000 |
Three-Dimensional Quantitative Structure-Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family. | 20 | 1.31 | 1999 |
Molecular basis of quantitative structure-properties relationships (QSPR): a quantum similarity approach. | 6 | 0.65 | 1999 |
Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example | 14 | 1.15 | 1999 |
Facet diagrams for quantum similarity data. | 4 | 0.47 | 1999 |
Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model | 3 | 0.47 | 1998 |
A Formal Comparison between Molecular Quantum Similarity Measures and Indices | 6 | 0.53 | 1998 |
Molecular quantum similarity measures tuned 3D QSAR: an antitumoral family validation study. | 7 | 0.64 | 1998 |
Molecular quantum similarity measures as an alternative to log P values in QSAR studies. | 6 | 0.69 | 1998 |
Toward a global maximization of the molecular similarity function: Superposition of two molecules | 21 | 2.35 | 1997 |