Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q42414958)
Watch
English
Quantifying the chemical beauty of drugs.
scientific article published on 24 January 2012
In more languages
edit
Statements
instance of
scholarly article
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
title
Quantifying the chemical beauty of drugs
(English)
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
main subject
replication crisis
1 reference
based on heuristic
inferred from title
reproducibility
1 reference
based on heuristic
inferred from title
author
G Richard J Bickerton
series ordinal
1
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
Jérémy Besnard
series ordinal
3
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
Sorel Muresan
series ordinal
4
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
Andrew L Hopkins
series ordinal
5
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
author name string
Gaia V Paolini
series ordinal
2
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
publication date
24 January 2012
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
published in
Nature Chemistry
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
volume
4
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
issue
2
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
page(s)
90-98
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
cites work
Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Probing the links between in vitro potency, ADMET and physicochemical parameters.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
DrugBank 3.0: a comprehensive resource for 'omics' research on drugs
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Understanding and predicting druggability. A high-throughput method for detection of drug binding sites
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
The impact of aromatic ring count on compound developability--are too many aromatic rings a liability in drug design?
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Identifying and characterizing binding sites and assessing druggability
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Physiochemical drug properties associated with in vivo toxicological outcomes
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Lessons learnt from assembling screening libraries for drug discovery for neglected diseases
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
How many drug targets are there?
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
A practical view of 'druggability'.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
A fast exchange algorithm for designing focused libraries in lead optimization
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Comprehensive identification of "druggable" protein ligand binding sites.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Assessment of the consistency of medicinal chemists in reviewing sets of compounds.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
A ‘Rule of Three’ for fragment-based lead discovery?
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Development of a method for evaluating drug-likeness and ease of synthesis using a data set in which compounds are assigned scores based on chemists' intuition
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
A comparison of physiochemical property profiles of development and marketed oral drugs
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
The druggable genome
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Molecular properties that influence the oral bioavailability of drug candidates
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Drug-like properties and the causes of poor solubility and poor permeability
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Drug-like index: a new approach to measure drug-like compounds and their diversity
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Property distribution of drug-related chemical databases.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
28 May 2018
Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
How desirable are your IC50s? A way to enhance screening-based decision making.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
Evaluation of pKa estimation methods on 211 druglike compounds.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
Predicting oral druglikeness by iterative stochastic elimination.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
Escape from flatland: increasing saturation as an approach to improving clinical success.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
The influence of drug-like concepts on decision-making in medicinal chemistry
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
Identifying promising compounds in drug discovery: genetic algorithms and some new statistical techniques.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
Structure-based maximal affinity model predicts small-molecule druggability.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
The evolution of synthetic oral drug properties.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524573
retrieved
16 August 2018
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1038%2FNCHEM.1243
retrieved
21 January 2018
Atomic Physicochemical Parameters for Three-Dimensional Structure-Directed Quantitative Structure-Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1038%2FNCHEM.1243
retrieved
21 January 2018
A Mathematical Theory of Communication
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1038%2FNCHEM.1243
retrieved
21 January 2018
Comparison with naloxone of two dynorphin A analogues with K- and delta-opioid antagonist activity.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1038%2FNCHEM.1243
retrieved
21 January 2018
Generation of a set of simple, interpretable ADMET rules of thumb
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/22270643
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Artificial intelligence in organic synthesis. SST: starting material selection strategies. An application of superstructure search
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/22270643
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Are there differences between launched drugs, clinical candidates, and commercially available compounds?
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/22270643
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
A sorcerer's apprentice and The Rule of Five: from rule-of-thumb to commandment and beyond
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/22270643
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Identifiers
DOI
10.1038/NCHEM.1243
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
PMC publication ID
3524573
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
PubMed publication ID
22270643
1 reference
stated in
Europe PubMed Central
PMC publication ID
3524573
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22270643%20AND%20SRC:MED&resulttype=core&format=json
retrieved
21 January 2020
ResearchGate publication ID
221771256
0 references
Sitelinks
Wikipedia
(0 entries)
edit
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit
