Results 151 to 160 of about 12,257 (212)

Open Enzyme Database: a community-wide repository for sharing enzyme data. [PDF]

Nucleic Acids Res
Yuan L, Bianchi DM, Arneson K, Guo B, Lambert S, Stephens C, Wasnik YH, Pond C, Berry MJ, Zhao H.   +9 more
europepmc   +1 more source

Correction: Advancements in thermochemical predictions: a multi-output thermodynamics-informed neural network approach. [PDF]

J Cheminform
Hammad R, Mondal S.
europepmc   +1 more source

SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysis. [PDF]

J Cheminform
Kogej T, Kannas C, Genheden S, Caldeweyher E, Kabeshov M.   +4 more
europepmc   +1 more source

ReactionSeek: LLM-powered literature data mining and knowledge discovery in organic synthesis. [PDF]

Nat Commun
Li J, Li M, Yang Q, Luo S.
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

SERS Cheminformatics: Opportunities for Data-Driven Discovery and Applications. [PDF]

ACS Cent Sci
Tan EX, Nguyen LBT, Jin Y, Lv Y, Phang IY, Ling XY.   +5 more
europepmc   +1 more source

strainedSMILES2xyz: a workflow for reliable 3D structures of strained molecules from SMILES. [PDF]

J Cheminform
Demuth T, Schnizer J, Svatunek D.
europepmc   +1 more source

Special Issue "Targeting of Functional Proteins in Disease Therapeutics: Enzyme Function and Inhibition Studies". [PDF]

Int J Mol Sci
Kim SK.
europepmc   +1 more source

Journal of Cheminformatics

Journal of Cheminformatics
  +4 more sources

Semantic Similarity in Cheminformatics

, 2020
João D. Ferreira, Francisco M. Couto
openaire   +2 more sources