Results 171 to 180 of about 14,133 (217)

In silico prioritization and cheminformatics identify structurally diverse small-molecule inhibitors of Lassa virus glycoprotein-mediated membrane fusion. [PDF]

SLAS Discov
Close BJ, La Rosa B, Ong C, Anantpadma M, Elkabbany AH, Stubbs SH, Davisson VJ, Davey RA.   +7 more
europepmc   +1 more source

Correction: Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries. [PDF]

J Cheminform
Zhao H, Nittinger E, Yu MA, Gathiaka S, Walters WP, Tyrchan C.   +5 more
europepmc   +1 more source

ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models. [PDF]

J Cheminform
Phan TM, Phan TL, Van-Nguyen PC, Le LHS, To VT, Truong TN, Merkle D, Stadler PF.   +7 more
europepmc   +1 more source

Designing Novel Compound Candidates Against SARS-CoV-2 Using Generative Deep Neural Networks and Cheminformatics. [PDF]

Int J Mol Sci
Li SY, Hung CM, Hung HY, Lai CW, Lee MC.
europepmc   +1 more source

Editorial: Pharmacokinetics modeling in the Artificial Intelligence Era

Frontiers in Drug Discovery
Simone Brogi, Patric Schyman, Vishal B. Siramshetty   +2 more
doaj   +1 more source

Foundation and Multimodal Models for Drug Discovery in Molecular Informatics: Principles, Evaluation, and Practical Guidance. [PDF]

Mol Inform
Pastore EP, De Rango F.
europepmc   +1 more source

The (r)evolution of chemical space and molecular modeling: a time-resolved perspective. [PDF]

J Comput Aided Mol Des
Del Moral-Morales A, Feitosa FL, Andrade CH, Medina-Franco JL.   +3 more
europepmc   +1 more source

Correction: Retrosynthetic crosstalk between single-step reaction and multi-step planning. [PDF]

J Cheminform
Choe J, Kim H, Chok YT, Gim M, Kang J.
europepmc   +1 more source

Comment on: "A comprehensive landscape of AI applications in broad-spectrum drug interaction prediction: a systematic review" (Marzouk et al., 2025). [PDF]

J Cheminform
Kargar A, Zamani MA, Mohammadnezhad G.
europepmc   +1 more source