Results 241 to 250 of about 585,850 (313)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

STAR-GO: improving protein function prediction by learning to hierarchically integrate ontology-informed semantic embeddings. [PDF]

Bioinformatics
Akça ME, Uludoğan G, Özgür A, Baytaş İM.   +3 more
europepmc   +1 more source

Multi-AOP: a lightweight multi-view deep learning framework for antioxidant peptide discovery. [PDF]

Bioresour Bioprocess
Cai J, Lou X, Chong CF, Alex D, Arrais JP, Wang Y, Siu SWI.   +6 more
europepmc   +1 more source

Real-World Performance of FIT Triage for Symptomatic Colonoscopy: Analysis of the UK National Endoscopy Database (NED). [PDF]

Aliment Pharmacol Ther
Beaton D, Mohamed M, Sharp L, Pohl K, Rutter M.   +4 more
europepmc   +1 more source

A data migration and integration approach for big data management using linked data. [PDF]

Sci Rep
Sattar H, Al-Khasawneh MA, Shafi UF, Hussain T, Saudagar AKJ, Ul Abideen SZ, Kamal MM, Jahfar Khan SB.   +7 more
europepmc   +1 more source

CREATE: a novel attention-based framework for efficient classification of transposable elements. [PDF]

Brief Bioinform
Qi Y, Chen Y, Wu Y, Guo Y, Gao M, Zhang F, Liao X, Shang X.   +7 more
europepmc   +1 more source