Results 111 to 120 of about 28,081 (207)

Bidirectional reinforcement learning neural network for constrained molecular design. [PDF]

Sci Rep
Lin J, Hostaš J, Hu A, Hu H, Ooi HK, Ghaemi MS.   +5 more
europepmc   +1 more source

All-atom protein sequence design using discrete diffusion models. [PDF]

J Cheminform
Villegas-Morcillo A, Admiraal GJ, Reinders MJT, Weber JM.   +3 more
europepmc   +1 more source

Generalizable machine learning models for rapid antimicrobial resistance prediction in unseen health care settings. [PDF]

Gigascience
Duroux D, Meyer PP, Visonà G, Beerenwinkel N.   +3 more
europepmc   +1 more source

VNFlow: integration of variational autoencoders and normalizing flows for novel molecular design. [PDF]

J Cheminform
Hostaš J, Ghaemi MS, Hu H, Lin J, Hu A, Ooi HK.   +5 more
europepmc   +1 more source

Enhancing deep chemical reaction prediction with advanced chirality and fragment representation. [PDF]

Chem Commun (Camb)
Mastrolorito F, Ciriaco F, Nicolotti O, Grisoni F.   +3 more
europepmc   +1 more source

Fine-Tuning a Transformer Model for METTL3 Lead Optimization. [PDF]

ACS Bio Med Chem Au
Matter CM, Caflisch A.
europepmc   +1 more source

Benchmarking Molecular Mutation Operators for Evolutionary Drug Design. [PDF]

Int J Mol Sci
Acosta Murillo R, Zapata-Morin PA, Ortiz-Bayliss JC.   +2 more
europepmc   +1 more source

Perceived Facial Distortions in Selfies Are Explained by Viewing Habits. [PDF]

, 2018
Banks, Martin S, Cooper, Emily A
core  

MolOrgGPT: De Novo Generation via Large Language Models and Reinforcement Learning. [PDF]

J Chem Inf Model
Pardo PV, Toledano O, Marcos-Ayuso G, Quesada D, Campillo NE.   +4 more
europepmc   +1 more source

Artificial intelligence in drug discovery from advanced molecular representation to pipeline applications. [PDF]

Front Bioinform
Zhou X, Tao W.
europepmc   +1 more source