Results 241 to 250 of about 3,260,181 (300)

Can machine learning uncover viable non-platinum catalysts for hydrogen evolution? An unsupervised clustering approach to transition metal-ligand complexes. [PDF]

RSC Adv
Benarbia A, Alshami A, Mustafa A, Tomomewo OS.   +3 more
europepmc   +1 more source

Targeting transcription factors associated with hemoglobinopathies: Lessons from successful interventions and implications for cancer

Molecular Oncology, EarlyView.
This review summarizes the transcription factors, repressive chromatin‐modifying complexes, and epigenetic mechanisms that control fetal hemoglobin repression. Notably, many regulators of γ‐globin silencing also function in transcriptional and epigenetic networks that drive cancer, highlighting opportunities to translate advances in hemoglobinopathy ...
Meigen Yu, Puspa Das, Xing Zhang, Xiaodong Cheng   +3 more
wiley   +1 more source

Domain-generalized representation learning for cross-chemical-family toxicity prediction. [PDF]

Sci Rep
Mahdi WA, Alhowyan A, Obaidullah AJ.
europepmc   +1 more source

Machine learning reveals structural determinants of odor detection thresholds and identifies high-potency food odorants. [PDF]

NPJ Sci Food
Hou X, Zhou Z, Shi P, Wang Y, Liu S, Ji Z, Zhang D, Mao J.   +7 more
europepmc   +1 more source

Rational Design of Novel Isosteviol-Derived Factor Xa Inhibitors Using Integrated QSAR, Molecular Docking, Molecular Dynamics, and MM/GBSA Analyses. [PDF]

Biology (Basel)
Gordon P, Szeleszczuk Ł, Lasota M, Pisklak DM, Gackowski M.   +4 more
europepmc   +1 more source

Integrating Low-Cost xTB Electronic Priors for Predicting Electronic and Excited-State Properties of Organic Conjugated Molecules. [PDF]

Chemphyschem
Zeng M, Huai L, Liu T, Liu Y, Jiang X.
europepmc   +1 more source

Sequence-Derived and Molecular Descriptors for Interpretable Modeling of Molecular Systems: Insights from Peptide Hemolysis. [PDF]

J Chem Inf Model
Medvedeva A, Kolomeisky K, Vasnetsov C, Reed A, Bodganova A, Kolomeisky AB.   +5 more
europepmc   +1 more source

Ligand conformational entropy as a regime-switching descriptor of the electrostatic-uptake relationship in nanocarrier-immune cell interactions. [PDF]

PLoS One
Truong QH, Truong XK.
europepmc   +1 more source

LEL-a Newly Designed Molecular Descriptor

, 2009
Diudea, Mircea V., Ilić, Aleksandar, Onişor, Cristina, Stevanović, Dragan   +3 more
openaire   +2 more sources

Some of the next articles are maybe not open access.

Related searches:

Molecular Descriptors

2016
Despite the number of available chemicals growing exponentially, testing of their toxicological and environmental behavior is often a critical issue and alternative strategies are required. Additionally, there is the need to predict properties of not yet synthesized compounds to reduce the costs of synthesis, selecting only those that have the maximal ...
Mauri, A, CONSONNI, VIVIANA, TODESCHINI, ROBERTO   +2 more
openaire   +2 more sources