(Q37999092)

26 August 2017

Going further than Lipinski's rule in drug design (English)

1 reference

26 August 2017

W Patrick Walters

1

1 reference

PubMed ID

22468912

26 August 2017

language of work or name

English

0 references

publication date

13 January 2012

1 reference

Expert Opinion on Drug Discovery

26 August 2017

1 reference

26 August 2017

7

1 reference

26 August 2017

99-107

1 reference

26 August 2017

2

1 reference

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

26 August 2017

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

What do medicinal chemists actually make? A 50-year retrospective

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

The medicinal chemist's toolbox: an analysis of reactions used in the pursuit of drug candidates.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Property distribution of drug-related chemical databases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Escape from flatland: increasing saturation as an approach to improving clinical success.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

The impact of aromatic ring count on compound developability--are too many aromatic rings a liability in drug design?

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Distinct biological network properties between the targets of natural products and disease genes

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

A scoring scheme for discriminating between drugs and nondrugs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Descriptors, physical properties, and drug-likeness.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Predicting oral druglikeness by iterative stochastic elimination.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Drugs and Nondrugs: An Effective Discrimination with Topological Methods and Artificial Neural Networks

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS).

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Gradual in silico filtering for druglike substances

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Understanding drug-likeness

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Molecular complexity and its impact on the probability of finding leads for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Is there a difference between leads and drugs? A historical perspective

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Pursuing the leadlikeness concept in pharmaceutical research.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

A decade of fragment-based drug design: strategic advances and lessons learned

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

A ‘Rule of Three’ for fragment-based lead discovery?

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Fragment-based drug design: how big is too big?

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Recent developments in fragment-based drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Molecular complexity and fragment-based drug discovery: ten years on.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Defining optimum lipophilicity and molecular weight ranges for drug candidates-Molecular weight dependent lower logD limits based on permeability.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Using the Golden Triangle to optimize clearance and oral absorption

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

21 January 2018

A bioavailability score.

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Molecular properties that influence the oral bioavailability of drug candidates

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

ADME evaluation in drug discovery. 6. Can oral bioavailability in humans be effectively predicted by simple molecular property-based rules?

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Physiochemical drug properties associated with in vivo toxicological outcomes

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Physicochemical drug properties associated with in vivo toxicological outcomes: a review

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Biopharmaceutical drug targeting to the brain

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Structure-brain exposure relationships

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Brain drug targeting: a computational approach for overcoming blood-brain barrier

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

ADME evaluation in drug discovery. 3. Modeling blood-brain barrier partitioning using simple molecular descriptors

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

'Metabolite-likeness' as a criterion in the design and selection of pharmaceutical drug libraries

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Can 'Bacterial-Metabolite-Likeness' model improve odds of 'in silico' antibiotic discovery?

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Comparing the chemical spaces of metabolites and available chemicals: models of metabolite-likeness

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Virtual screening—an overview

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Identification of toxifying and detoxifying moieties for mutagenicity prediction by priority assessment

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Assessment of methods to define the applicability domain of structural alert models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Structural alert/reactive metabolite concept as applied in medicinal chemistry to mitigate the risk of idiosyncratic drug toxicity: a perspective based on the critical examination of trends in the top 200 drugs marketed in the United States

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

In silico toxicology models and databases as FDA Critical Path Initiative toolkits

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Drug discovery in the next decade: innovation needed ASAP.

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Hydrocarbon double-stapling remedies the proteolytic instability of a lengthy peptide therapeutic

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Current strategies for diversity-oriented synthesis

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

Computational toxicology in drug development

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460441.2012.648612

10.1517/17460441.2012.648612

21 January 2018

Identifiers

DOI

1 reference

26 August 2017

1 reference

PubMed ID

22468912