Results 171 to 180 of about 36,144 (247)

Machine learning-based quantitative structure-activity relationship model for antibiotic prediction and discovery. [PDF]

PLOS Digit Health
Nakbang J, Arbsuwan C, Prom-On S, Chienwichai P.   +3 more
europepmc   +1 more source

The Tsetlin Machine: A "Third Way" in QSAR Modeling. [PDF]

J Chem Inf Model
Clarke PFA, Cmelo I, Helin R, Shende MK, Granmo OC, Fayne D.   +5 more
europepmc   +1 more source

Multiscale Explainable Machine Learning Reveals Descriptor-Invariant Molecular Determinants of Small-Molecule PD-1/PD-L1 Inhibition. [PDF]

ACS Med Chem Lett
Manan A, Ilyas S.
europepmc   +1 more source

Green Synthesis, Molecular Docking, and QSAR Study of Coumarin Derivatives as Acaricidal Agents Against <i>Rhipicephalus</i> (<i>Boophilus</i>) <i>microplus</i>. [PDF]

Molecules
Rodriguez CE, Ruiz DM, Rodriguez A, Duchowicz PR, Romanelli GP, Martínez JJ, Triana LJT.   +6 more
europepmc   +1 more source

From QSAR to deep learning: an interpretable comprehensive pipeline with a read-across approach for mutagenicity prediction <i>via</i> the Enalos Cloud Platform. [PDF]

RSC Adv
Varsou DD, Tsoumanis A, Longhin EM, Dusinska M, Mintis DG, Kolokathis PD, Papavasileiou KD, Lynch I, Melagraki G, Afantitis A.   +9 more
europepmc   +1 more source

Novel Pyrazoline Derivatives as Therapeutic Candidate for Alzheimer's Disease: An Integrated Network Pharmacology and 3D-QSAR Modelling. [PDF]

Bioinform Biol Insights
Hossain MM, Singdha TR, Sakib SI, Adhikari J, Choudhury P, Miya MS, Sarker AK, Das M, Shibly AZ.   +8 more
europepmc   +1 more source

ToxiVerse: chemical bioprofiling, toxicity data sharing and customizable predictive modeling. [PDF]

Bioinformatics
Durai P, Russo DP, Shen Y, Wang T, Chung E, Li L, Zhu H.   +6 more
europepmc   +1 more source

Molecular modeling of 7-propanamide benzoxaboroles as CPSF3 inhibitors through docking-based 3D-QSAR and molecular dynamics simulations. [PDF]

RSC Adv
Ji L, Liu Y, Xu G.
europepmc   +1 more source

Animal-Free Skin Sensitization Testing: In Chemico and In Silico Integrated Approach. [PDF]

Toxics
Lisboa Dos Santos G, Corrêa GOP, Cortez FO, Souza T, Bosquetti B, Felippi JAD, E Silva GTS, do Nascimento PF, Andréo MA, Duque MD, Catarino CM, Canavez ADPM, Lopes PS.   +12 more
europepmc   +1 more source