Results 101 to 110 of about 147,630 (190)

Optimizing SMILES token sequences via trie-based refinement and transition graph filtering. [PDF]

J Cheminform
Radhakrishnan S, Mody K, Venkatesh A, Venkatesh A.   +3 more
europepmc   +1 more source

Reverse engineering molecules from fingerprints through deterministic enumeration and generative models. [PDF]

J Cheminform
Meyer P, Duigou T, Gricourt G, Faulon JL.   +3 more
europepmc   +1 more source

Bridging worlds: connecting glycan representations with glycoinformatics via Universal Input and a canonicalized nomenclature. [PDF]

Bioinform Adv
Urban J, Joeres R, Bojar D.
europepmc   +1 more source

Machinability analysis in wire-EDM of cryogenically treated Ti6Al4V alloy and multi-objective optimization using MOAVOA and MOGA. [PDF]

Sci Rep
Dikshit MK, Pathak VK.
europepmc   +1 more source

Improved deformation reconstruction of composite material structures based on optical fiber sensing. [PDF]

Sci Rep
Huang J, Sun Y, Peng Y, Zhang D, Li R, Yin S, Peng Z, Huang Q, Liu Q.   +8 more
europepmc   +1 more source

Enhancing deep chemical reaction prediction with advanced chirality and fragment representation. [PDF]

Chem Commun (Camb)
Mastrolorito F, Ciriaco F, Nicolotti O, Grisoni F.   +3 more
europepmc   +1 more source

Representation of Molecules by Sequences of Instructions. [PDF]

J Chem Inf Model
Thurnhofer-Hemsi K, García-Aguilar I, Fernández-Rodriguez JD, López-Rubio E.   +3 more
europepmc   +1 more source

A hybrid recurrent neural network and optimization framework for intelligent mobile robot navigation in smart manufacturing. [PDF]

Sci Rep
Radha K, Karthikeyan S.
europepmc   +1 more source

Structome-AlignViewer: On Confidence Assessment in Structure-Aware Alignments. [PDF]

Genome Biol Evol
Malik AJ, Mao S, Hugenholtz P, Ascher DB.   +3 more
europepmc   +1 more source

CMCL-DDI: Pharmacophore-aware cross-view contrastive learning for drug-drug interaction prediction. [PDF]

PLoS One
Han Y, Du L.
europepmc   +1 more source