4.8 Article

Probing the links between in vitro potency, ADMET and physicochemical parameters

Related references

Note: Only part of the references are listed.
Article Chemistry, Medicinal

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

Denis Fourches et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)

Article Chemistry, Medicinal

An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs

Emanuele Perola

JOURNAL OF MEDICINAL CHEMISTRY (2010)

Review Neurosciences

Assessment of the blood-brain barrier in CNS drug discovery

Phil Jeffrey et al.

NEUROBIOLOGY OF DISEASE (2010)

Editorial Material Chemistry, Multidisciplinary

Reaching Out to Collaborators: Crowdsourcing for Pharmaceutical Research

Sean Ekins et al.

PHARMACEUTICAL RESEARCH (2010)

Article Chemistry, Medicinal

Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds

Christian Tyrchan et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)

Article Chemistry, Medicinal

Using the Golden Triangle to optimize clearance and oral absorption

Ted W. Johnson et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)

Article Pharmacology & Pharmacy

Receptor Occupancy and Brain Free Fraction

Jeanette Watson et al.

DRUG METABOLISM AND DISPOSITION (2009)

Review Biochemistry & Molecular Biology

Structure and organization of drug-target networks: insights from genomic approaches for drug discovery

Sarath Chandra Janga et al.

MOLECULAR BIOSYSTEMS (2009)

Article Biotechnology & Applied Microbiology

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

Gyoergy M. Keserue et al.

NATURE REVIEWS DRUG DISCOVERY (2009)

Review Chemistry, Medicinal

Generation of a set of simple, interpretable ADMET rules of thumb

M. Paul Gleeson

JOURNAL OF MEDICINAL CHEMISTRY (2008)

Review Biochemistry & Molecular Biology

Network pharmacology: the next paradigm in drug discovery

Andrew L. Hopkins

NATURE CHEMICAL BIOLOGY (2008)

Article Chemistry, Medicinal

Are the Chemical Structures in Your QSAR Correct?

Douglas Young et al.

QSAR & COMBINATORIAL SCIENCE (2008)

Article Biotechnology & Applied Microbiology

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

Paul D. Leeson et al.

NATURE REVIEWS DRUG DISCOVERY (2007)

Article Biotechnology & Applied Microbiology

Drug-target network

Muhammed A. Yildirim et al.

NATURE BIOTECHNOLOGY (2007)

Article Multidisciplinary Sciences

The human disease network

Kwang-Il Goh et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)

Review Pharmacology & Pharmacy

Fragments, network biology and designing multiple ligands

Richard Morphy et al.

DRUG DISCOVERY TODAY (2007)

Article Biochemistry & Molecular Biology

Lead-like, drug-like or pub-like: how different are they?

Tudor I. Oprea et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2007)

Review Pharmacology & Pharmacy

Multi-target therapeutics: when the whole is greater than the sum of the parts

Grant R. Zimmermann et al.

DRUG DISCOVERY TODAY (2007)

Article Biotechnology & Applied Microbiology

Opinion - How many drug targets are there?

John P. Overington et al.

NATURE REVIEWS DRUG DISCOVERY (2006)

Article Chemistry, Medicinal

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

Philip J. Hajduk

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Article Biotechnology & Applied Microbiology

Opinion - Drug-target residence time and its implications for lead optimization

Robert A. Copeland et al.

NATURE REVIEWS DRUG DISCOVERY (2006)

Article Chemistry, Medicinal

Dependence of molecular properties on proteomic family for marketed oral drugs

Michal Vieth et al.

JOURNAL OF MEDICINAL CHEMISTRY (2006)

Article Biochemistry & Molecular Biology

Can we rationally design promiscuous drugs?

AL Hopkins et al.

CURRENT OPINION IN STRUCTURAL BIOLOGY (2006)

Review Chemistry, Medicinal

Lessons from the drug discovery of lapatinib, a dual ErbB1/2 tyrosine kinase inhibitor

Karen E. Lackey

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2006)

Review Pharmacology & Pharmacy

Avoiding physicochemical artefacts in early ADME-Tox experiments

Robert S. DeWitte

DRUG DISCOVERY TODAY (2006)

Review Pharmacology & Pharmacy

Predicting protein druggability

PJ Hajduk et al.

DRUG DISCOVERY TODAY (2005)

Review Biochemistry & Molecular Biology

A comprehensive listing of bioactivation pathways of organic functional groups

AS Kalgutkar et al.

CURRENT DRUG METABOLISM (2005)

Article Chemistry, Medicinal

The evolution of synthetic oral drug properties

JR Proudfoot

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)

Review Chemistry, Medicinal

Components of successful lead generation

AM Davis et al.

CURRENT TOPICS IN MEDICINAL CHEMISTRY (2005)

Article Chemistry, Medicinal

Time-related differences in the physical property profiles of oral drugs

PD Leeson et al.

JOURNAL OF MEDICINAL CHEMISTRY (2004)

Review Biochemistry & Molecular Biology

Pursuing the leadlikeness concept in pharmaceutical research

MM Hann et al.

CURRENT OPINION IN CHEMICAL BIOLOGY (2004)

Article Chemistry, Medicinal

A comparison of physiochemical property profiles of development and marketed oral drugs

MC Wenlock et al.

JOURNAL OF MEDICINAL CHEMISTRY (2003)

Article Chemistry, Multidisciplinary

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

TI Oprea et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)

Article Chemistry, Multidisciplinary

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

MM Hann et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)