(Q39693636)

English

Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties

scientific article published on 25 March 2010

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Statements

scholarly article

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties (English)

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

0 references

author name string

Travis T Wager

1

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

Xinjun Hou

2

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

Patrick R Verhoest

3

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

Anabella Villalobos

4

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

publication date

25 March 2010

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

ACS Chemical Neuroscience

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

1

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

6

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

435-449

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

Lead- and drug-like compounds: the rule-of-five revolution

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Physiochemical drug properties associated with in vivo toxicological outcomes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Minimising the potential for metabolic activation in drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Research perspectives for pre-screening alternatives to animal experimentation: on the relevance of cytotoxicity measurements, barrier passage determinations and high throughput screening in vitro to select potentially hazardous compounds in large s

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

A comprehensive listing of bioactivation pathways of organic functional groups

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

A fast exchange algorithm for designing focused libraries in lead optimization

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Can the pharmaceutical industry reduce attrition rates?

1 reference

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14 September 2017

Determination of lipophilicity and its use as a predictor of blood-brain barrier penetration of molecular imaging agents

1 reference

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14 September 2017

The impact of drug-induced QT interval prolongation on drug discovery and development

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

Ligand efficiency indices for effective drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

In vitro P-glycoprotein assays to predict the in vivo interactions of P-glycoprotein with drugs in the central nervous system

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

14 September 2017

The influence of drug-like concepts on decision-making in medicinal chemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

20 August 2018

Identifying promising compounds in drug discovery: genetic algorithms and some new statistical techniques.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3368654

20 August 2018

Early evaluation of compound QT prolongation effects: a predictive 384-well fluorescence polarization binding assay for measuring hERG blockade

1 reference

https://pubmed.ncbi.nlm.nih.gov/22778837

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The influence of lead discovery strategies on the properties of drug candidates

1 reference

https://pubmed.ncbi.nlm.nih.gov/22778837

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Prediction of human pharmacokinetics from preclinical information: comparative accuracy of quantitative prediction approaches

1 reference

https://pubmed.ncbi.nlm.nih.gov/22778837

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

In silico modeling of nonspecific binding to human liver microsomes

1 reference

https://pubmed.ncbi.nlm.nih.gov/22778837

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/CN100008C

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

ResearchGate publication ID

0 references

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