Results 71 to 80 of about 40,634 (157)

QSPR modelling of PPI drugs using hybrid topological indices. [PDF]

Front Chem
Monisha L, Jayagopal R.
europepmc   +1 more source

Entropy estimation in acetylcholinesterase-donepezil interaction through topological indices: a graph theoretical perspective. [PDF]

Front Chem
Gayathri KB, Roy S, Jyothish K.
europepmc   +1 more source

Resolving Chemically Inequivalent ¹¹B NMR Sites via Interpretable Hybrid Machine Learning. [PDF]

JACS Au
Li P, Gao B, Wang S, Liu W, Wei Z, Yin G, Li Y.   +6 more
europepmc   +1 more source

Control of genes by self-organizing multicellular interaction networks. [PDF]

NPJ Syst Biol Appl
Allison KR.
europepmc   +1 more source

Exploring anticancer drug structures through vertex based resolving parameters. [PDF]

Sci Rep
Chaudhry F, Hussain M, Hanif MF, Alzahrani AK, Fiidow OA.   +4 more
europepmc   +1 more source

Data-Efficient and Fast Machine Learning Molecular Dynamics through Integrated Active Learning and Knowledge Distillation. [PDF]

J Chem Theory Comput
Lian X, Pasquarello A.
europepmc   +1 more source

A general model for determination of molecular structures of anti-biofilm compounds through metric-based resolvability. [PDF]

Sci Rep
Alasmri A, Ali NMM, Ahmad A, Nadeem MF.
europepmc   +1 more source

Siphon Calculus and Lyapunov Functions for Generalized Lotka-Volterra Systems: A Reaction Networks Perspective. [PDF]

Entropy (Basel)
Avram F.
europepmc   +1 more source

Full-Cycle Ecological Damage Assessment Framework for Sudden Water Pollution Accidents: Multi-Model Coupled Prediction and Three-Dimensional Quantitative Evaluation with a Case Study of Tailings Dam Breach. [PDF]

Toxics
Lin Z, Sun X, Yan B, Li C.
europepmc   +1 more source

Multiobjective Fluorescent Molecule Design with a Data-Physics Dual-Driven Generative Framework. [PDF]

JACS Au
Li Y, Pu Z, Yang L, Xue Y, Zhou Z, Gao YQ.   +5 more
europepmc   +1 more source