Results 121 to 130 of about 12,214 (208)

Correction: Integrating artificial intelligence and manual curation to enhance bioassay annotations in ChEMBL. [PDF]

J Cheminform
Smit I, Adasme MF, Manners E, Corbett S, Bosc N, Do HM, Leach AR, O'Boyle NM, Zdrazil B.   +8 more
europepmc   +1 more source

Paths to cheminformatics: Q&A with Rajarshi Guha. [PDF]

J Cheminform
Guha R.
europepmc   +1 more source

Cheminformatics in JavaScript: JChemHub

, 2010
Longtime readers of this blog know that I think JavaScript for Cheminformatics is an idea with a lot of potential. Recently, I ran across JChemHub, an open source toolkit for developing client-side cheminformatics applications. JChemHub is written from scratch in JavaScript using the Google Closure library.
openaire   +1 more source

Could nucleocapsid be a next-generation COVID-19 vaccine candidate?

International Journal of Infectious Diseases, 2022
Bryan Saldivar-Espinoza, Guillem Macip, Gerard Pujadas, Santiago Garcia-Vallve   +3 more
doaj   +1 more source

CBR-db: A Cheminformatic Database for Biochemical Reaction Analysis. [PDF]

ACS Synth Biol
Slocombe L, Millsaps C, Shahjahan MR, Narasimhan K, Walker SI.   +4 more
europepmc   +1 more source

IRACEMA: A Database Management System for Bioactive Compounds Obtained and Characterized by Brazilian Researchers. [PDF]

ACS Omega
Lourenço TA, Costa RPO, Melo LFM, Ferreira UA, Alves EHP, Oliveira-Filho LP, Scotti L, Scotti MT, Trossini GHG.   +8 more
europepmc   +1 more source

graphpancake: a Python package for representing organic molecules as molecular graphs utilizing electronic structure theory. [PDF]

J Cheminform
Sil S, Maskeri MA, Scheidt KA.
europepmc   +1 more source

Democratizing Artificial Intelligence in Toxicology: Real-World Applications and Automated Computational Workflows. [PDF]

Chem Res Toxicol
Mansouri K, Moreira-Filho JT, S Tieghi R, Kleinstreuer N.   +3 more
europepmc   +1 more source

AI-assisted interpretation of Markush structures in pharmaceutical patents: a review of emerging tools, datasets, and challenges. [PDF]

J Cheminform
Hayes JMU, Olawode EO, Andy A, Ameyaw EE.   +3 more
europepmc   +1 more source

Chemical Motifs Associated with FAERS-Derived Severe Cutaneous Adverse Reaction Disproportionality Signals: An Interpretable Pharmacovigilance-Driven Cheminformatics Study. [PDF]

Int J Mol Sci
Uesawa Y, Inden K, Asada M.
europepmc   +1 more source