Lang, Andrew SID; Bradley, Jean-Claude Abraham descriptor E.
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Andrew Lang创建时间:
2012-06-05
相关数据集
QSAR Modeling of Human Serum Protein Binding with Several Modeling Techniques Utilizing Structure−Information Representation
Four modeling techniques, using topological descriptors to represent molecular structure, were employed to produce models of human serum protein binding (% bound) on a data set of 1008 experimental va
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Table_1_Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of Ki and IC50 Values of Antitarget Inhibitors.DOCX
Estimation of interaction of drug-like compounds with antitargets is important for the assessment of possible toxic effects during drug development. Publicly available online databases provide data on
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Molecular activity prediction by means of supervised subspace projection based ensembles of classifiers
This paper proposes a method for molecular activity prediction in QSAR studies using ensembles of classifiers constructed by means of two supervised subspace projection methods, namely nonparametric d
Figshare2018-02-02 更新00
MOESM4 of SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data
Additional file 4. The list of descriptors used for models derivation are included.
DataCite Commons2020-08-26 更新50
Seward, J.R.; Cronin, M.T.D.; Schultz, T.W. The effect of precision of molecular orbital descriptors on toxicity modeling of selected pyridines. SAR QSAR Environ. Res. 2002, 13, 2, 325–340.
The response-surface approach to QSARs attempts to model toxic potency of diverse groups of chemicals while avoiding problems associated with the identification of the mechanism of toxic action or spe
QSAR DataBank2012-05-23 更新00



