The Concept of Chemical Space

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378050%3A_____%2F19%3A00502862" target="_blank" >RIV/68378050:_____/19:00502862 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

The Concept of Chemical Space

Popis výsledku v původním jazyce

The chemical space is a concept used primarily in cheminformatics, but it indirectly relates to all fields that deal with chemical structures, from general chemistry up to patent law. It is a theoretical space consisting of all energetically stable (and thus possible) isomers of all chemical structures. This space can be arranged by any number of various criteria to create a projection, within which interesting areas can subsequently be searched, delimited and sampled. In practice, such interesting areas are usually those associated with desired biological activity, synthetic accessibility or patent coverage of contained structures. This article introduces the concept of chemical space in an interdisciplinary context and describes the commonly used forms of its representation.

Název v anglickém jazyce

The Concept of Chemical Space

Popis výsledku anglicky

The chemical space is a concept used primarily in cheminformatics, but it indirectly relates to all fields that deal with chemical structures, from general chemistry up to patent law. It is a theoretical space consisting of all energetically stable (and thus possible) isomers of all chemical structures. This space can be arranged by any number of various criteria to create a projection, within which interesting areas can subsequently be searched, delimited and sampled. In practice, such interesting areas are usually those associated with desired biological activity, synthetic accessibility or patent coverage of contained structures. This article introduces the concept of chemical space in an interdisciplinary context and describes the commonly used forms of its representation.

Druh

C - Kapitola v odborné knize

CEP obor

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OECD FORD obor

10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Projekt

<a href="/cs/project/LO1220" target="_blank" >LO1220: CZ-OPENSCREEN: Národní infrastruktura chemické biologie</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název knihy nebo sborníku

Advances in Chemical Biology

ISBN

978-80-88011-03-3

Počet stran výsledku

10

Strana od-do

138-147

Počet stran knihy

210

Název nakladatele

OPTIO CZ

Místo vydání

Praha

Kód UT WoS kapitoly

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