Results 141 to 150 of about 26,891,998 (226)

Benchmarking molecular conformer augmentation with context-enriched training: graph-based transformer versus GNN models. [PDF]

J Cheminform
Valsecchi C, Arjona-Medina JA, Dyubankova N, Nugmanov R.   +3 more
europepmc   +1 more source

AI-driven prediction of bitterness and sweetness and analysis of receptor interactions. [PDF]

Curr Res Food Sci
Iwata H.
europepmc   +1 more source

Token-Mol 1.0: tokenized drug design with large language models. [PDF]

Nat Commun
Wang J, Qin R, Wang M, Fang M, Zhang Y, Zhu Y, Su Q, Gou Q, Shen C, Zhang O, Wu Z, Jiang D, Zhang X, Zhao H, Ge J, Wu Z, Kang Y, Hsieh CY, Hou T.   +18 more
europepmc   +1 more source

Multiensemble Markov models of molecular thermodynamics and kinetics

Proceedings of the National Academy of Sciences of the United States of America, 2016
Hao Wu, Fabian Paul, C. Wehmeyer, Frank Noé   +3 more
semanticscholar   +1 more source

EnGCI: enhancing GPCR-compound interaction prediction via large molecular models and KAN network. [PDF]

BMC Biol
Liu W, Li X, Hang B, Wang P.
europepmc   +1 more source

Applications of visualization technology in the structural sciences. [PDF]

Struct Dyn
Eng ET, Valdez NR.
europepmc   +1 more source

Utilizing Molecular Descriptor Importance to Enhance Endpoint Predictions. [PDF]

Toxics
Bajželj B, Novič M, Drgan V.
europepmc   +1 more source

Foundation models in plant molecular biology: advances, challenges, and future directions. [PDF]

Front Plant Sci
Xu F, Wu T, Cheng Q, Wang X, Yan J.
europepmc   +1 more source

Knowledge-aware contrastive heterogeneous molecular graph learning. [PDF]

PLoS Comput Biol
Chen M, Wu J, Pan S, Lin F, Du B, Gong X, Hu W.   +6 more
europepmc   +1 more source

Tumor-Derived Cell Lines as Molecular Models of Cancer Pharmacogenomics

Molecular Cancer Research, 2015
A. Goodspeed, Laura M. Heiser, J. Gray, J. Costello   +3 more
semanticscholar   +1 more source