(Q34669667)

3 August 2017

1 reference

title

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

1 reference

3 August 2017

1 reference

Darko Butina

1

1 reference

PubMed ID

12047885

3 August 2017

Matthew D Segall

series ordinal

2

1 reference

PubMed ID

12047885

3 August 2017

Katrina Frankcombe

series ordinal

3

1 reference

3 August 2017

1 June 2002

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3 August 2017

1 reference

3 August 2017

7

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3 August 2017

11

1 reference

3 August 2017

S83-8

1 reference

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

3 August 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Progress in predicting human ADME parameters in silico

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

The emerging importance of predictive ADME simulation in drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Risks in new drug development: approval success rates for investigational drugs

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

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%2FS1359-6446%2802%2902288-2

7 January 2021

Induction of Decision Trees

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Structure-toxicity relationships of selected naphthalene derivatives II. Principal components analysis.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Neural networks and physical systems with emergent collective computational abilities

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Evolving artificial neural networks

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Optimization of parameters for semiempirical methods II. Applications

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

High-resolution crystal structure of cytochrome P450cam

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Crystal structure and refinement of cytochrome P450terp at 2.3 A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Microsomal cytochrome P450 2C5: comparison to microbial P450s and unique features

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Molecular modelling of cytochrome P4502D6 (CYP2D6) based on an alignment with CYP102: structural studies on specific CYP2D6 substrate metabolism

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Simple Method of Calculating Octanol/Water Partition Coefficient

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Prediction of human intestinal absorption of drug compounds from molecular structure.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Prediction of drug absorption using multivariate statistics

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Fuzzy adaptive least squares and its use in quantitative structure-activity relationships.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

QSAR model for drug human oral bioavailability.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Predicting human oral bioavailability of a compound: development of a novel quantitative structure-bioavailability relationship

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Homology modeling and substrate binding study of human CYP2C9 enzyme

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

Development of predictive pharmacokinetic simulation models for drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2802%2902288-2

7 January 2021

10.1016/S1359-6446(02)02288-2

Identifiers

DOI

1 reference

3 August 2017

1 reference

PubMed ID

12047885