New molecular descriptors for 2D and 3D structures. Theory
about
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and BioinformaticsExamining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasetsCombinatorial informatics in the post-genomics ERA.Modelling of cytotoxicity data (CC50) of anti-HIV 1-[5-chlorophenyl) sulfonyl]-1H-pyrrole derivatives using calculated molecular descriptors and Levenberg-Marquardt artificial neural network.MALDI efficiency of metabolites quantitatively associated with their structural properties: a quantitative structure-property relationship (QSPR) approach.Recent advances in fragment-based QSAR and multi-dimensional QSAR methods.Descriptors for antimicrobial peptides.Computational modeling of the bat HKU4 coronavirus 3CL(pro) inhibitors as a tool for the development of antivirals against the emerging Middle East respiratory syndrome (MERS) coronavirus.Investigating the organic and conventional production type of olive oil with target and suspect screening by LC-QTOF-MS, a novel semi-quantification method using chemical similarity and advanced chemometrics.Optimizing the macrocyclic diterpenic core toward the reversal of multidrug resistance in cancer.3D-modelling and prediction by WHIM descriptors. Part 8. Toxicity and physico-chemical properties of environmental priority chemicals by 2D-TI and 3D-WHIM descriptors.A quantitative structure-activity relationship study on serotonin 5-HT6) receptor ligands: indolyl and piperidinyl sulphonamides.Docking and quantitative structure-activity relationship of oxadiazole derivates as inhibitors of GSK3β.PXR ligand classification model with SFED-weighted WHIM and CoMMA descriptors.Synthesis, biological evaluation, mechanism of action and quantitative structure-activity relationship studies of chalcones as antibacterial agents.Impact of topological and electronic descriptors in the QSAR of pyrazine containing thiazolines and thiazolidinones as antitubercular and antibacterial agents.Quantitative structure-property relationship modeling of Grätzel solar cell dyes.QSARs for aromatic hydrocarbons at several trophic levels.Ligand- and structure-based drug design strategies and PPARδ/α selectivity.Modeling of acetylcholinesterase inhibition by tacrine analogues using Bayesian-regularized Genetic Neural Networks and ensemble averaging.Validation of a QSAR model for acute toxicity.Total ranking models by the genetic algorithm variable subset selection (GA-VSS) approach for environmental priority settings.Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applicationsDescriptors from Molecular GeometryCalculated Molecular Properties and Multivariate Statistical Analysis
P2860
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P2860
New molecular descriptors for 2D and 3D structures. Theory
description
1994 nî lūn-bûn
@nan
1994 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
1994 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
1994年の論文
@ja
1994年論文
@yue
1994年論文
@zh-hant
1994年論文
@zh-hk
1994年論文
@zh-mo
1994年論文
@zh-tw
1994年论文
@wuu
name
New molecular descriptors for 2D and 3D structures. Theory
@ast
New molecular descriptors for 2D and 3D structures. Theory
@en
type
label
New molecular descriptors for 2D and 3D structures. Theory
@ast
New molecular descriptors for 2D and 3D structures. Theory
@en
prefLabel
New molecular descriptors for 2D and 3D structures. Theory
@ast
New molecular descriptors for 2D and 3D structures. Theory
@en
P356
P1476
New molecular descriptors for 2D and 3D structures. Theory
@en
P2093
Emilio Marengo
Marina Lasagni
P304
P356
10.1002/CEM.1180080405
P577
1994-07-01T00:00:00Z