Results 141 to 150 of about 21,290 (203)

Data-Driven Polyoxometalate Chemistry. [PDF]

Chemistry
Kondinski A, Gumerova NI, Rompel A, Falcaro P, Schreck T.   +4 more
europepmc   +1 more source

QSAR modeling for lipid peroxidation inhibition potential of flavonoids using topological and structural parameters

Open Chemistry, 2008
Ray Supratim, Sengupta Chandana, Roy Kunal   +2 more
doaj   +1 more source

BioRGroup dataset: R-group expansion of ChEBI molecules referenced in the Rhea database. [PDF]

Sci Data
Gricourt G, Faulon JL.
europepmc   +1 more source

Semantic Similarity in Cheminformatics

, 2020
D., Ferreira, João, M., Couto, Francisco   +1 more
openaire   +3 more sources

Journal of Cheminformatics

Journal of Cheminformatics
  +4 more sources

SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style. [PDF]

J Cheminform
Ilemo SN, Delannée V, Grushin O, Judson P, Patel H, Nicklaus MC, Tarasova NI.   +6 more
europepmc   +1 more source

Preliminary Identification of PFAS and Other Emerging Contaminants in the French Broad River, NC Post-Hurricane Helene. [PDF]

Toxics
Walker-Franklin I, Blake S, Thorp E, Tuberty S.   +3 more
europepmc   +1 more source

Open-Source Molecular Docking and AI-Augmented Structure-Based Drug Design: Current Workflows, Challenges, and Opportunities. [PDF]

Int J Mol Sci
Azam F, Almahmoud SA.
europepmc   +1 more source

Author Correction: An open-source family of large encoder-decoder foundation models for chemistry. [PDF]

Commun Chem
Soares E, Vital Brazil E, Shirasuna V, Zubarev D, Cerqueira R, Schmidt K.   +5 more
europepmc   +1 more source

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