Results 241 to 250 of about 2,926,022 (304)

Scaling multimodal materials representation learning with synthetic narratives. [PDF]

Nat Commun
Park YJ, Kumaran M, Hsu CW, Olivetti E, Li J.   +4 more
europepmc   +1 more source

MSF-HierGNN: a multi-source substructure-fusion hierarchical GNN method and web server to predict molecular property for drug design. [PDF]

Brief Bioinform
Xiao M, Xiao Y, Wu Y, You Y, Liu X, Van Thanh H, Zhang L.   +6 more
europepmc   +1 more source

Autonomous bioisosteric replacement for multi-property optimization in drug design. [PDF]

Nat Commun
Kim H, Moon S, Zhung W, Kim S, Lim J, Kim WY.   +5 more
europepmc   +1 more source

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties. [PDF]

J Cheminform
Lin X, Kearney LT, Su Z, Liu Y, Naskar AK, Bhowmik D.   +5 more
europepmc   +1 more source