Capter 11 Filtering in Drug Discovery (Q57002001)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

25 April 2020

review article

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title

Capter 11 Filtering in Drug Discovery (English)

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

25 April 2020

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Christopher A Lipinski

series ordinal

1

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

25 April 2020

publication date

5 October 2005

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

Annual reports in computational chemistry

25 April 2020

published in

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

25 April 2020

volume

1

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25 April 2020

page(s)

155-168

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

Property distribution of drug-related chemical databases.

25 April 2020

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Properties of known drugs. 2. Side chains

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Characteristic physical properties and structural fragments of marketed oral drugs.

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

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7 January 2021

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Computational approaches towards the rational design of drug-like compound libraries

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7 January 2021

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

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7 January 2021

Recognizing molecules with drug-like properties

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Protein secondary structure templates derived from bioactive natural products. Combinatorial chemistry meets structure-based design

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RECAP--retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry

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7 January 2021

Natural products as sources of new drugs over the period 1981-2002.

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7 January 2021

Strategic Pooling of Compounds for High-Throughput Screening

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7 January 2021

Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds

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7 January 2021

Virtual screening for SARS-CoV protease based on KZ7088 pharmacophore points

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7 January 2021

Simple selection criteria for drug-like chemical matter

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7 January 2021

Privileged structure-based combinatorial libraries targeting G protein-coupled receptors

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7 January 2021

The combinatorial synthesis of bicyclic privileged structures or privileged substructures.

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7 January 2021

Exploring privileged structures: the combinatorial synthesis of cyclic peptides

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7 January 2021

Recognition of privileged structures by G-protein coupled receptors

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7 January 2021

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7 January 2021

Privileged molecules for protein binding identified from NMR-based screening

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7 January 2021

Medicinal chemistry of target family-directed masterkeys

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7 January 2021

Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors.

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7 January 2021

Implications of protein flexibility for drug discovery

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7 January 2021

A planning strategy for diversity-oriented synthesis

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7 January 2021

From protein domains to drug candidates-natural products as guiding principles in the design and synthesis of compound libraries

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7 January 2021

"Multi-component reactions : emerging chemistry in drug discovery" 'from xylocain to crixivan'.

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7 January 2021

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

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7 January 2021

Current trends in lead discovery: are we looking for the appropriate properties?

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7 January 2021

Drugs, leads, and drug-likeness: an analysis of some recently launched drugs

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7 January 2021

The growing impact of click chemistry on drug discovery

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7 January 2021

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

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7 January 2021

Design of small molecule libraries for NMR screening and other applications in drug discovery

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7 January 2021

Applications of SHAPES screening in drug discovery.

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7 January 2021

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7 January 2021

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7 January 2021

Filtering databases and chemical libraries

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7 January 2021

Drug research: myths, hype and reality

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7 January 2021

Molecular properties that influence the oral bioavailability of drug candidates

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7 January 2021

Functional group contributions to drug-receptor interactions.

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7 January 2021

Virtual Screening in Lead Discovery: A Viewpoint

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7 January 2021

Large Dimeric Ligands with Favorable Pharmacokinetic Properties and Peroxisome Proliferator-Activated Receptor Agonist Activity in Vitro and in Vivo

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7 January 2021

Knockouts model the 100 best-selling drugs--will they model the next 100?

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7 January 2021

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7 January 2021

Blood-brain barrier permeation models: discriminating between potential CNS and non-CNS drugs including P-glycoprotein substrates

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7 January 2021

Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs.

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7 January 2021

Caco-2 permeability, P-glycoprotein transport ratios and brain penetration of heterocyclic drugs

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7 January 2021

Polar molecular surface as a dominating determinant for oral absorption and brain penetration of drugs

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7 January 2021

Computational approaches to the prediction of the blood-brain distribution

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7 January 2021

Recent advances in the prediction of blood-brain partitioning from molecular structure.

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7 January 2021

Surface activity profiling of drugs applied to the prediction of blood-brain barrier permeability

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7 January 2021

In Silico ADME Prediction: Data, Models, Facts and Myths

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7 January 2021

In silico ADME/Tox: why models fail

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7 January 2021

Experimental and computational screening models for the prediction of intestinal drug absorption

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7 January 2021

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

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7 January 2021

Absorption classification of oral drugs based on molecular surface properties

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7 January 2021

Surface descriptors for protein-ligand affinity prediction.

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7 January 2021

A structure-permeability study of small drug-like molecules.

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7 January 2021

Molecular and pharmacokinetic properties of 222 commercially available oral drugs in humans

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7 January 2021

Quantitative relationship between rat intestinal absorption and Abraham descriptors

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7 January 2021

Prediction of drug solubility by the general solubility equation (GSE).

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7 January 2021

Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs

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7 January 2021

Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics

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7 January 2021

Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data

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7 January 2021

Substrate SARs in human P450s

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7 January 2021

A specific mechanism of nonspecific inhibition

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7 January 2021

Kinase inhibitors: not just for kinases anymore

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7 January 2021

Identification and Prediction of Promiscuous Aggregating Inhibitors among Known Drugs

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7 January 2021

Selecting the right compounds for screening: does Lipinski's Rule of 5 for pharmaceuticals apply to agrochemicals?

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7 January 2021

Selecting the right compounds for screening: use of surface-area parameters.

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7 January 2021

Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions

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7 January 2021

Molecular anchors with large stability gaps ensure linear binding free energy relationships for hydrophobic substituents.

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12 December 2020

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

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12 December 2020

Design strategies for building drug-like chemical libraries.

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12 December 2020

Examination of the computed molecular properties of compounds selected for clinical development.

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12 December 2020

Blood-brain barrier genomics and the use of endogenous transporters to cause drug penetration into the brain

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12 December 2020

10.1016/S1574-1400(05)01011-X

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

25 April 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32288696%20AND%20SRC:MED&resulttype=core&format=json

25 April 2020

PubMed publication ID

32288696

1 reference