Results 81 to 90 of about 325,256 (164)

SMILES-based 2D-QSAR and similarity search for identification of potential new scaffolds for development of SARS-CoV-2 MPRO inhibitors. [PDF]

Struct Chem, 2022
Costa AS, Martins JPA, de Melo EB.
europepmc   +1 more source

Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints. [PDF]

J Chem Inf Model
Lübbers J, Schokolowski M, Lessel U, Weber A, Rarey M.   +4 more
europepmc   +1 more source

Rapid Identification of Potential Drug Candidates from Multi-Million Compounds' Repositories. Combination of 2D Similarity Search with 3D Ligand/Structure Based Methods and In Vitro Screening. [PDF]

Molecules, 2021
Szilágyi K, Flachner B, Hajdú I, Szaszkó M, Dobi K, Lőrincz Z, Cseh S, Dormán G.   +7 more
europepmc   +1 more source

PZLAST-MAG: full length protein sequence similarity search server of large-scale MAG proteins. [PDF]

Bioinform Adv
Higashi K, Ishikawa H, Kurokawa K, Mori H.   +3 more
europepmc   +1 more source

Molecular Design Learned from the Natural Product Porphyra-334: Molecular Generation via Chemical Variational Autoencoder versus Database Mining via Similarity Search, A Comparative Study. [PDF]

ACS Omega, 2022
Harada Y, Hatakeyama M, Maeda S, Gao Q, Koizumi K, Sakamoto Y, Ono Y, Nakamura S.   +7 more
europepmc   +1 more source

A framework for privacy-preserving similarity search of massive multi-party genomic data. [PDF]

Front Plant Sci
Liu J, Xu Y, Gera A, Li X, Zhao L, Zhu X.   +5 more
europepmc   +1 more source

A novel pairwise sequence alignment algorithm for similarity search in massive datasets. [PDF]

Brief Bioinform
Masoudi-Sobhanzadeh Y, Omidi Y.
europepmc   +1 more source

SIMBSIG: Similarity search and clustering for biobank-scale data

, 2022
Adamer MF, Roellin E, Bourguignon L, Borgwardt K.   +3 more
europepmc   +1 more source

jdispatcher-viewers: interactive visualizations of sequence similarity search results and domain predictions. [PDF]

Bioinform Adv
Madeira F, Lee J, Madhusoodanan N, Eusebi A, Niewielska A, Butcher S.   +5 more
europepmc   +1 more source

Leveraging a foundation model zoo for cell similarity search in oncological microscopy across devices. [PDF]

Front Oncol
Kalweit G, Klett A, Silvestrini P, Rahnfeld J, Naouar M, Vogt Y, Infante D, Berger R, Duque-Afonso J, Hartmann TN, Follo M, Bodurova-Spassova E, Lübbert M, Mertelsmann R, Boedecker J, Ullrich E, Kalweit M.   +16 more
europepmc   +1 more source