Results 121 to 130 of about 3,086 (177)

ECBD: European chemical biology database. [PDF]

Nucleic Acids Res
Škuta C, Müller T, Voršilák M, Popr M, Epp T, Skopelitou KE, Rossella F, Stechmann B, Gribbon P, Bartůněk P.   +9 more
europepmc   +1 more source

AI-Driven Polypharmacology in Small-Molecule Drug Discovery. [PDF]

Int J Mol Sci
Abdelsayed M.
europepmc   +1 more source

Chemically gated artificial nanochannels for programmable subcellular signal modulated transport regulation. [PDF]

Nat Commun
Wu MS, Du XC, Zhou ZR, Wang XY, Zheng SY, Lv J, Chen BB, Li DW, Qian RC.   +8 more
europepmc   +1 more source

Exploring the potential of computer simulation models in drug testing and biomedical research: a systematic review. [PDF]

Front Pharmacol
Mittal R, Ho A, Adivikolanu H, Sawhney M, Lemos JRN, Mittal M, Hirani K.   +6 more
europepmc   +1 more source

FOCUS on NOD2: Advancing IBD Drug Discovery with a User-Informed Machine Learning Framework. [PDF]

ACS Med Chem Lett
Choudhary R, Mahadevan R.
europepmc   +1 more source

Improving Machine Learning Classification Predictions through SHAP and Features Analysis Interpretation. [PDF]

J Chem Inf Model
Bernal L, Rastelli G, Pinzi L.
europepmc   +1 more source

ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery. [PDF]

Nucleic Acids Res
Shi S, Fu L, Yi J, Yang Z, Zhang X, Deng Y, Wang W, Wu C, Zhao W, Hou T, Zeng X, Lyu A, Cao D.   +12 more
europepmc   +1 more source

Artificial Intelligence in Natural Product Drug Discovery: Current Applications and Future Perspectives.

J Med Chem
Gangwal A, Lavecchia A.
europepmc   +1 more source