Using molecular embeddings in QSAR modeling: Does it make a difference?

Mariá Virginia Sabando; Ignacio Ponzoni; Evangelos E. Milios; Axel J. Soto

doi:10.1093/bib/bbab365

Using molecular embeddings in QSAR modeling: Does it make a difference?

Mariá Virginia Sabando, Ignacio Ponzoni, Evangelos E. Milios, Axel J. Soto

Atelier Future

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

Original language	English
Article number	bbab365
Journal	Briefings in Bioinformatics
Volume	23
Issue number	1
DOIs	https://doi.org/10.1093/bib/bbab365
Publication status	Published - Jan 1 2022

ASJC Scopus Subject Areas

Information Systems
Molecular Biology

Access to Document

10.1093/bib/bbab365

Cite this

@article{b2454bec41a948908bc6676052c1f823,

title = "Using molecular embeddings in QSAR modeling: Does it make a difference?",

author = "Sabando, {Mari{\'a} Virginia} and Ignacio Ponzoni and Milios, {Evangelos E.} and Soto, {Axel J.}",

year = "2022",

month = jan,

day = "1",

doi = "10.1093/bib/bbab365",

language = "English",

volume = "23",

journal = "Briefings in Bioinformatics",

issn = "1467-5463",

publisher = "Oxford University Press",

number = "1",

}

TY - JOUR

T1 - Using molecular embeddings in QSAR modeling

T2 - Does it make a difference?

AU - Sabando, Mariá Virginia

AU - Ponzoni, Ignacio

AU - Milios, Evangelos E.

AU - Soto, Axel J.

PY - 2022/1/1

Y1 - 2022/1/1

UR - http://www.scopus.com/inward/record.url?scp=85124709364&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85124709364&partnerID=8YFLogxK

U2 - 10.1093/bib/bbab365

DO - 10.1093/bib/bbab365

M3 - Article

AN - SCOPUS:85124709364

SN - 1467-5463

VL - 23

JO - Briefings in Bioinformatics

JF - Briefings in Bioinformatics

IS - 1

M1 - bbab365

ER -

Using molecular embeddings in QSAR modeling: Does it make a difference?

ASJC Scopus Subject Areas

Access to Document

Other files and links

Fingerprint

Cite this