Estimation of the size of drug-like chemical space based on GDB-17 data. (Q30662631)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23963658%20AND%20SRC:MED&resulttype=core&format=json

7 March 2020

title

Estimation of the size of drug-like chemical space based on GDB-17 data (English)

1 reference

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7 March 2020

1

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7 March 2020

Timur Madzhidov

series ordinal

2

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7 March 2020

author name string

A Varnek

series ordinal

3

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7 March 2020

publication date

21 August 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23963658%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

7 March 2020

language of work or name

English

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published in

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7 March 2020

volume

27

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7 March 2020

issue

8

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7 March 2020

page(s)

675-679

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The art and practice of structure-based drug design: A molecular modeling perspective

7 March 2020

cites work

1 reference

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Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

21 January 2018

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Exploring neurotherapeutic space: how many neurological drugs exist (or could exist)?

21 January 2018

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Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17.

21 January 2018

1 reference

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Ueber die analytischen Figuren, welche in der Mathematik Bäume genannt werden und ihre Anwendung auf die Theorie chemischer Verbindungen

21 January 2018

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Enumeration of constitutional isomers of polyenes

21 January 2018

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Size estimation of chemical space: how big is it?

21 January 2018

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Virtual screening—an overview

21 January 2018

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Diversity in medicinal chemistry space

21 January 2018

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Combinatorial compound libraries for drug discovery: an ongoing challenge

21 January 2018

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Diversity screening versus focussed screening in drug discovery

21 January 2018

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ZINC: a free tool to discover chemistry for biology

21 January 2018

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Combinatorial library design using a multiobjective genetic algorithm

21 January 2018

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A Quantitative Approach to the Estimation of Chemical Space from a Given Geometry by the Combination of Atomic Species

21 January 2018

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Virtual exploration of the small-molecule chemical universe below 160 Daltons

21 January 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/23963658

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Chemical space travel

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23963658

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Drug discovery: nature's pieces

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23963658

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Algebraische Berechnung der Anzahl der Isomeren einiger organischer Verbindungen

1 reference

COCI

https://opencitations.net/index/api/v1/references/10.1007/S10822-013-9672-4

10.1007/S10822-013-9672-4

24 May 2025

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23963658%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/PolishchukMV13

7 March 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

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