Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity.
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Structure-activity relationships derived by machine learning: the use of atoms and their bond connectivities to predict mutagenicity by inductive logic programmingCoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application.A Mechanism-based QSTR Model for Acute to Chronic Toxicity Extrapolation: A Case Study of Antibiotics on Luminous Bacteria3,3',5,5'-Tetra-nitro-biphen-yl.Hemoglobin binding of arylamines and nitroarenes: molecular dosimetry and quantitative structure-activity relationshipsAdaptation of high-throughput screening in drug discovery-toxicological screening tests.The nitroimidazooxazines (PA-824 and analogs): structure-activity relationship and mechanistic studies.Various difunctionalizations of acrylamide: an efficient approach to synthesize oxindoles.Targeting Phenotypically Tolerant Mycobacterium tuberculosis.Quantitative structure-toxicity relationships using TOPS-MODE. 2. Neurotoxicity of a non-congeneric series of solvents.Nitroarenes as Antitubercular Agents: Stereoelectronic Modulation to Mitigate Mutagenicity.Quantitative structure-activity relationships of cytochrome P-450.An Ab Initio Method for Designing Multi-Target Specific Pharmacophores using Complementary Interaction Field of Aspartic Proteases.Enhancing the flexibility and adaptability of the DARC structural representation for computer-aided drug design.Cruzain inhibition by hydroxymethylnitrofurazone and nitrofurazone: investigation of a new target in Trypanosoma cruzi.Quantitative structure--toxicity relationships using TOPS-MODE. 1. Nitrobenzene toxicity to Tetrahymena pyriformis.In silico prediction of percutaneous absorption and disposition kinetics of chemicals.graphkernels: R and Python packages for graph comparison.Quantification and In Silico Toxicity Assessment of Nimesulide and its Related Substances.Mutagenic activities and physicochemical properties of selected nitrobenzanthrones.Comparison of CoMFA models for Salmonella typhimurium TA98, TA100, TA98 + S9 and TA100 + S9 mutagenicity of nitroaromatics.Shape-dependent effects in a series of aromatic nitro compounds acting as mutagenic agents on S. typhimurium TA98.Measuring graph similarity through continuous-time quantum walks and the quantum Jensen-Shannon divergence.Quantitative structure-activity relationships for the toxicity of nitrobenzenes to Tetrahymena thermophila.Neural networks for relational learning: an experimental comparisonPropagation kernels: efficient graph kernels from propagated information
P2860
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P2860
Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on February 1991
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Structure-activity relationshi ...... l energies and hydrophobicity.
@en
Structure-activity relationshi ...... l energies and hydrophobicity.
@nl
type
label
Structure-activity relationshi ...... l energies and hydrophobicity.
@en
Structure-activity relationshi ...... l energies and hydrophobicity.
@nl
prefLabel
Structure-activity relationshi ...... l energies and hydrophobicity.
@en
Structure-activity relationshi ...... l energies and hydrophobicity.
@nl
P2093
P356
P1476
Structure-activity relationshi ...... l energies and hydrophobicity.
@en
P2093
Debnath AK
Lopez de Compadre RL
Shusterman AJ
P304
P356
10.1021/JM00106A046
P407
P577
1991-02-01T00:00:00Z