A widely applicable set of descriptors (Q30643759)

25 June 2017

A widely applicable set of descriptors (English)

1 reference

25 June 2017

Labute P

1

1 reference

PubMed ID

11143563

25 June 2017

language of work or name

1 reference

1 August 2000

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Journal of Molecular Graphics & Modelling

25 June 2017

1 reference

25 June 2017

18

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25 June 2017

4-5

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25 June 2017

464-477

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Comparison of parameters currently used in the study of structure-activity relationships

25 June 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2800%2900068-1

7 January 2021

Applications of the radius-diameter diagram to the classification of topological and geometrical shapes of chemical compounds

1 reference

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7 January 2021

Structural Determination of Paraffin Boiling Points

1 reference

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7 January 2021

Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships

1 reference

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7 January 2021

New molecular descriptors for 2D and 3D structures. Theory

1 reference

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7 January 2021

Molecular Diversity and Representativity in Chemical Databases

1 reference

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A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

1 reference

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Analytical approximation to the accessible surface area of proteins.

1 reference

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7 January 2021

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

1 reference

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7 January 2021

Prediction of Physicochemical Parameters by Atomic Contributions

1 reference

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7 January 2021

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

1 reference

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Prediction of the brain-blood distribution of a large set of drugs from structurally derived descriptors using partial least-squares (PLS) modeling.

1 reference

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7 January 2021

Binary QSAR: a new method for the determination of quantitative structure activity relationships.

1 reference

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7 January 2021

Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin,

1 reference

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7 January 2021

Metric Validation and the Receptor-Relevant Subspace Concept

1 reference

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7 January 2021

Molecular identification number for substructure searches

1 reference

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7 January 2021

10.1016/S1093-3263(00)00068-1

Identifiers

DOI

1 reference

25 June 2017

1 reference

PubMed ID

11143563