(Q31033199)

28 June 2017

1 reference

title

General topological patterns of known drugs (English)

1 reference

28 June 2017

Gáive J

1

1 reference

PubMed ID

11760006

28 June 2017

De Julian-Ortiz JV

series ordinal

2

1 reference

PubMed ID

11760006

28 June 2017

García-Domenech R

series ordinal

3

1 reference

28 June 2017

1 January 2001

1 reference

Journal of Molecular Graphics & Modelling

28 June 2017

1 reference

28 June 2017

20

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28 June 2017

1

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28 June 2017

84-94

1 reference

Antimicrobial activity characterization in a heterogeneous group of compounds.

28 June 2017

1 reference

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7 January 2021

The properties of known drugs. 1. Molecular frameworks

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900103-6

7 January 2021

Properties of known drugs. 2. Side chains

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900103-6

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Identification of biological activity profiles using substructural analysis and genetic algorithms.

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Indexes of molecular shape from chemical graphs

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Substructural analysis. Novel approach to the problem of drug design

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Can we learn to distinguish between "drug-like" and "nondrug-like" molecules?

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A scoring scheme for discriminating between drugs and nondrugs.

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Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

1 reference

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7 January 2021

Toward designing drug-like libraries: a novel computational approach for prediction of drug feasibility of compounds

1 reference

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Improving the odds in discriminating "drug-like" from "non drug-like" compounds.

1 reference

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7 January 2021

Property distribution of drug-related chemical databases.

1 reference

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QSAR using 2D descriptors and TRIPOS' SIMCA

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Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening

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Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis

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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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Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds

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Artificial neural network applied to prediction of fluorquinolone antibacterial activity by topological methods.

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A novel approach for the virtual screening and rational design of anticancer compounds.

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7 January 2021

QSAR modeling with the electrotopological state indices: corticosteroids

1 reference

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7 January 2021

General definition of valence delta-values for molecular connectivity

1 reference

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7 January 2021

Topological approach to drug design

1 reference

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7 January 2021

Structural Determination of Paraffin Boiling Points

1 reference

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7 January 2021

Pharmacological distribution diagrams: a tool for de novo drug design

1 reference

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7 January 2021

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Identifiers

DOI

1 reference

28 June 2017

1 reference

PubMed ID

11760006