Predicting ADME properties in silico: methods and models (Q34669667)

3 August 2017

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title

Predicting ADME properties in silico: methods and models (English)

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3 August 2017

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Darko Butina

1

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3 August 2017

Matthew D Segall

series ordinal

2

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3 August 2017

Katrina Frankcombe

series ordinal

3

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3 August 2017

publication date

1 June 2002

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3 August 2017

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3 August 2017

volume

7

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3 August 2017

issue

11

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3 August 2017

page(s)

S83-8

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In silico ADME/Tox: the state of the art.

3 August 2017

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

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Use of Automatic Relevance Determination in QSAR Studies Using Bayesian Neural Networks

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Evolving artificial neural networks

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Ground states of molecules. 38. The MNDO method. Approximations and parameters

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Optimization of parameters for semiempirical methods II. Applications

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Crystal structure of hemoprotein domain of P450BM-3, a prototype for microsomal P450's

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Molecular modelling of CYP3A4 from an alignment with CYP102: identification of key interactions between putative active site residues and CYP3A-specific chemicals

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7 January 2021

Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation

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7 January 2021

Development of quantitative structure-property relationship models for early ADME evaluation in drug discovery. 1. Aqueous solubility

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7 January 2021

Simple Method of Calculating Octanol/Water Partition Coefficient

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Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists

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Hydrogen bonding. 33. Factors that influence the distribution of solutes between blood and brain.

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7 January 2021

Predicting blood-brain barrier permeation from three-dimensional molecular structure.

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7 January 2021

Non-congeneric structure-pharmacokinetic property correlation studies using fuzzy adaptive least-squares: oral bioavailability.

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7 January 2021

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7 January 2021

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7 January 2021

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7 January 2021

Metabolism of sirolimus and its derivative everolimus by cytochrome P450 3A4: insights from docking, molecular dynamics, and quantum chemical calculations

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Homology modeling and substrate binding study of human CYP2C9 enzyme

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7 January 2021

A whole-body physiologically based pharmacokinetic model incorporating dispersion concepts: short and long time characteristics

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7 January 2021

Development of predictive pharmacokinetic simulation models for drug discovery

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7 January 2021

10.1016/S1359-6446(02)02288-2

Identifiers

DOI

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3 August 2017

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