SYBA - tool for the rapid classification of organic compounds as easy-to-synthesize or hard-to-synthesize

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F20%3A43932296" target="_blank" >RIV/60461373:22310/20:43932296 - isvavai.cz</a>
Result on the web
<a href="https://github.com/lich-uct/syba" target="_blank" >https://github.com/lich-uct/syba</a>
DOI - Digital Object Identifier
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Result language
angličtina
Original language name
SYBA - tool for the rapid classification of organic compounds as easy-to-synthesize or hard-to-synthesize
Original language description
SYnthetic BAyesian classifier (SYBA) is a Python package for the classification of organic compounds as easy-to-synthesize (ES) or hard-to-synthesize (ES). SYBA is a fragment-based method. The molecule is decomposed into ECFP4-like fragments, a fragment score is assigned to each fragment and all fragment scores are summed up to give the resulting SYBA score. If SYBA score is positive, the molecule is considered to be ES, otherwise it is considered to be HS. Fragment scores are the part of the SYBA algorithm and they were obtained by the analysis of the frequency of fragments in the databases of ES and HS compounds.
Czech name
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Czech description
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Project
<a href="/en/project/LM2018130" target="_blank" >LM2018130: National Infrastructure for Chemical Biology</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Internal product ID
SYBA
Technical parameters
open source
Economical parameters
Výsledek základního výzkumu využitelný vědeckou komunitou.
Owner IČO
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Owner name
Vysoká škola chemicko-technologická v Praze (VŠCHT Praha)

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