Results 191 to 200 of about 47,589 (249)

A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations. [PDF]

J Chem Inf Model
Alberga D, Nanna V, Papadopoulos MGE, Ancona A, Lomuscio MC, Mangiatordi GF.   +5 more
europepmc   +1 more source

Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction.

Digit Discov
Hinostroza Caldas A, Kokorin A, Tkatchenko A, Medrano Sandonas L.   +3 more
europepmc   +1 more source

A unified multi-scale deep learning framework for molecular property prediction that bridges molecular structures and fingerprinting. [PDF]

Commun Chem
Cai C, Lin M, Li W, Chen G, Huang D.
europepmc   +1 more source

Synthesis and biological evaluation of novel β-keto ether-triazole hybrids as dual antimicrobial and anticancer agents. [PDF]

BMC Chem
Abdel-Wahab BF, Hendy MH, Fettinger JC, Farahat AA, Mabied AF.   +4 more
europepmc   +1 more source

Centripetal Axonal Transport as a Gateway to the CNS for Veterinary Antiparasitics: Bypassing the Blood-Brain Barrier, Clinical Impact in Vulnerable Age Groups, and the Potential Facilitating Role of PFAS. [PDF]

J Toxicol
Britti D, Marabelli R, Calzetta L.
europepmc   +1 more source

In silico analysis of <i>Anacardium occidentale</i> phytochemicals: pharmacokinetics, molecular docking, and dynamics of <i>Cryptococcus neoformans</i> enzymes. [PDF]

In Silico Pharmacol
da Silva MVF, Silva J, da Rocha MN, de Morais SM, Marinho ES.   +4 more
europepmc   +1 more source

GHSR-Targeted PET Imaging Probe. [PDF]

ACS Med Chem Lett
Song R, Liang SH.
europepmc   +1 more source

Evaluation of antifungal and antimycotoxigenic activity of selected natural antioxidants against Fusarium culmorum: in vitro and in planta assays. [PDF]

J Sci Food Agric
Oufensou S, Fabbri D, Dettori MA, Carta P, Azara E, Ugone V, Balmas V, Malbrán I, Migheli Q.   +8 more
europepmc   +1 more source