(Q31081078)

28 June 2017

Subcellular pharmacokinetics and its potential for library focusing (English)

1 reference

28 June 2017

1 reference

Stefan Balaz

1

1 reference

PubMed ID

12071282

28 June 2017

Viera Lukacova

series ordinal

2

1 reference

28 June 2017

1 June 2002

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Journal of Molecular Graphics & Modelling

28 June 2017

1 reference

28 June 2017

20

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28 June 2017

6

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28 June 2017

479-490

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Advances in diversity profiling and combinatorial series design

28 June 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Beyond mere diversity: tailoring combinatorial libraries for drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Designing combinatorial library mixtures using a genetic algorithm

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Estimation of the binding affinities of FKBP12 inhibitors using a linear response method

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Design, docking, and evaluation of multiple libraries against multiple targets

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Structure-based library design: molecular modelling merges with combinatorial chemistry

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Automated pharmacophore identification for large chemical data sets

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Toward general methods of targeted library design: topomer shape similarity searching with diverse structures as queries

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Pharmacophore fingerprinting. 2. Application to primary library design

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Molecular hashkeys: a novel method for molecular characterization and its application for predicting important pharmaceutical properties of molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

An evaluation of structural descriptors and clustering methods for use in diversity selection.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Designing libraries with CNS activity

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Prediction of drug absorption using multivariate statistics

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Diversity measures for enhancing ADME admissibility of combinatorial libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

The centroid approximation for mixtures: calculating similarity and deriving structure--activity relationships.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Binning schemes for partition-based compound selection.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Rational combinatorial library design. 2. Rational design of targeted combinatorial peptide libraries using chemical similarity probe and the inverse QSAR approaches

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

The pharmacokinetic principles behind scaling from preclinical results to phase I protocols.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

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

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https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Electronic models for cytochrome P450 oxidations.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Novel approach to predicting P450-mediated drug metabolism: development of a combined protein and pharmacophore model for CYP2D6

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Lipids Social order among lipids in membranes

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Molecular dynamics simulations of lipid bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Proton transport across transient single-file water pores in a lipid membrane studied by molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Mechanism of unassisted ion transport across membrane bilayers

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Constant-pressure molecular dynamics investigation of cholesterol effects in a dipalmitoylphosphatidylcholine bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Structure of dipalmitoylphosphatidylcholine/cholesterol bilayer at low and high cholesterol concentrations: molecular dynamics simulation

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Interaction between dihydropyridines and phospholipid bilayers: a molecular dynamics simulation

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Parabolic relation between drug potency and hydrophobicity

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Quantitative structure--activity relationships. 7. The bilinear model, a new model for nonlinear dependence of biological activity on hydrophobic character

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Drug Partitioning: Relationships between Forward and Reverse Rate Constants and Partition Coefficient

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Transport in Quantitative Structure-activity Relationships VI: Relationship Between Transport Rate Constants and Partition Coefficients

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Kinetics of subcellular distribution of compounds in simple biosystems and its use in QSAR.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Subcellular distribution of compounds in biosystems.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Theoretical model-based equations for the linear free energy relationships of the biological activity of ionizable substances. 1. Equilibrium-controlled potency

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

A time hierarchy-based model for kinetics of drug disposition and its use in quantitative structure-activity relationships

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Model-based QSAR for ionizable compounds: toxicity of phenols against Tetrahymena pyriformis.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Nonlinear multivariate regression outperforms several concisely designed neural networks on three QSPR data sets

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

A novel QSAR approach for estimating toxicity of phenols.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Predictive correlations for the toxicity of alkyl- and halogen- substituted phenols.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Relationships of quantitative structure-activity to comparative toxicity of selected phenols in the Pimephales promelas and Tetrahymena pyriformis test systems

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Quantitative relationships of structure-activity and volume fraction for selected nonpolar and polar narcotic chemicals

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Relationships of quantitative structure—Activity for normal aliphatic alcohols

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

Toxicological assessment of biotransformation products of pentachlorophenol: Tetrahymena population growth impairment.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900149-8

7 January 2021

10.1016/S1093-3263(01)00149-8

Identifiers

DOI

1 reference

28 June 2017

1 reference

PubMed ID

12071282