Results 111 to 120 of about 1,782 (193)

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

Degree-based function index of graphs with given bipartition and small cyclomatic number [PDF]

Discrete Mathematics Letters
Tomáš Vetrík, Pawaton Kaemawichanurat
doaj   +1 more source

High-throughput electronic property prediction of cyclic molecules with 3D-enhanced machine learning. [PDF]

Chem Sci
Zheng P, Isayev O.
europepmc   +1 more source

Inverse Molecular Design for the Discovery of Organic Energy Transfer Photocatalysts: Bridging Global and Local Chemical Space Exploration. [PDF]

J Am Chem Soc
Schlosser L, Rendel NH, Gemen J, Glorius F, Jorner K.   +4 more
europepmc   +1 more source

Diterpenoids in medicinal plants: structure, distribution, biological activities, biosynthesis, and bioengineering prospects. [PDF]

Front Plant Sci
Zou X, Cheng Y, Chen X.
europepmc   +1 more source

Stability of bicyclic guanidine superbases and their salts in water. [PDF]

RSC Adv
Gazagnaire E, Helminen J, Golin Almeida T, Heinonen P, Metsälä M, Kurten T, Kilpeläinen I.   +6 more
europepmc   +1 more source

High-throughput identification of bacterial β-glucuronidase inhibitors using machine learning. [PDF]

Gut Microbes
Zhang B, Yue H, Skalse A, Sangfuang N, Shorthouse D, Gaisford S, Basit AW.   +6 more
europepmc   +1 more source

Maximal hyper-Zagreb index of trees, unicyclic and bicyclic graphs with a given order and matching number [PDF]

Discrete Mathematics Letters, 2020
Hechao Liu, Zikai Tang
doaj  

A Polarity-Mismatched Photocatalytic Cross-Coupling Enables Diversity-Oriented Synthesis of aza-Heterocycles. [PDF]

Org Lett
Urbańczyk J, McKay AP, Cordes DB, Lebl T, Aukland MH, Watson AJB.   +5 more
europepmc   +1 more source

Combination of Coevolutionary Information and Supervised Learning Enables Generation of Cyclic Peptide Inhibitors with Enhanced Potency from a Small Data Set. [PDF]

ACS Cent Sci
Mazzocato Y, Frasson N, Sample M, Fregonese C, Pavan A, Caregnato A, Simeoni M, Scarso A, Cendron L, Šulc P, Angelini A.   +10 more
europepmc   +1 more source