Results 131 to 140 of about 21,290 (203)

FAME3R: an efficient, practical and reliable open-source tool for predicting phase 1 and phase 2 sites of metabolism. [PDF]

J Cheminform
Jacob RA, Gaskin L, Seidel T, Chen Y, Mazzolari A, Kirchmair J.   +5 more
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

Nature meets machine: the AI renaissance in natural product drug discovery. [PDF]

Nat Prod Bioprospect
Muthuraj R, Chandrasekaran J.
europepmc   +1 more source

Cheminformatic analysis of protein surfaces provides binding site insights and informs identification strategies. [PDF]

Future Med Chem
Milisavljević A, Pražnikar J, Bren U, Jukič M.   +3 more
europepmc   +1 more source

Privileged structure-based molecular fingerprints for organic electronic materials: towards intuitive machine learning interpretation. [PDF]

J Cheminform
Yang TW, Jo SH, Suh MC.
europepmc   +1 more source

Cheminformatics and its Applications [PDF]

, 2020
openaire   +1 more source

NPBS Atlas: a comprehensive data resource for exploring the biological sources of natural products. [PDF]

J Cheminform
Xu T, Dai J, Li Y, Zhou J, Zhao Y, Chen W, Xue XS.   +6 more
europepmc   +1 more source

CaliciBoost: Performance-driven evaluation of molecular representations for caco-2 permeability prediction. [PDF]

J Cheminform
Le HV, Ren W, Kim J, Yun Y, Park YB, Kim YJ, Han BK, Choi I, Park JI, Yun HY, Choi JM.   +10 more
europepmc   +1 more source

Computational approaches in chemical space exploration for carbon fixation pathways. [PDF]

NPJ Syst Biol Appl
Abel AS, Lauber N, Andersen JL, Fagerberg R, Merkle D, Flamm C.   +5 more
europepmc   +1 more source