Results 211 to 220 of about 4,091,521 (342)

Advanced QSPR modeling of profens using machine learning and molecular descriptors for NSAID analysis. [PDF]

Sci Rep
Ahmed WE, Hanif MF, Siddiqui MK, Gegbe B.   +3 more
europepmc   +1 more source

Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning. [PDF]

Int J Mol Sci, 2021
Munteanu CR, Gutiérrez-Asorey P, Blanes-Rodríguez M, Hidalgo-Delgado I, Blanco Liverio MJ, Castiñeiras Galdo B, Porto-Pazos AB, Gestal M, Arrasate S, González-Díaz H.   +9 more
europepmc   +1 more source

Prediction of Protein Secondary Structures Based on Substructural Descriptors of Molecular Fragments [PDF]

Oleg S. Zakharov, Anastasia V. Rudik, D. A. Filimonov, Alexey A. Lagunin   +3 more
openalex   +1 more source

Predictors of response and rational combinations for the novel MCL‐1 inhibitor MIK665 in acute myeloid leukemia

Molecular Oncology, EarlyView.
This study characterizes the responses of primary acute myeloid leukemia (AML) patient samples to the MCL‐1 inhibitor MIK665. The results revealed that monocytic differentiation is associated with MIK665 sensitivity. Conversely, elevated ABCB1 expression is a potential biomarker of resistance to the treatment, which can be overcome by the combination ...
Joseph Saad, Rhiannon Newman, Elmira Khabusheva, Sofia Aakko, Eric Durand, Mahesh Tambe, Heikki Kuusanmäki, Alun Parsons, Juho J. Miettinen, Komal Kumar Javarappa, Ezgi June Olgac, Nemo Ikonen, Mika Kontro, Kimmo Porkka, Heiko Maacke, Janghee Woo, Ensar Halilovic, Caroline A. Heckman   +17 more
wiley   +1 more source

Computational measures of irregularity molecular descriptors of octahedral and icosahedral networks. [PDF]

Front Chem
Zhang X, Ur Rehman HM, Munir MM.
europepmc   +1 more source

Feasibility of a ctDNA multigenic panel for non‐small‐cell lung cancer early detection and disease surveillance

Molecular Oncology, EarlyView.
Plasma‐based detection of actionable mutations is a promising approach in lung cancer management. Analysis of ctDNA with a multigene NGS panel identified TP53, KRAS, and EGFR as the most frequently altered, with TP53 and KRAS in treatment‐naïve patients and TP53 and EGFR in previously treated patients.
Giovanna Maria Stanfoca Casagrande, Marcela de Oliveira Silva, Mariana Bisarro dos Reis, Rodrigo de Oliveira Cavagna, Luciane Sussuchi, Icaro Alves Pinto, Natalia Zampieri Pontes, Rodrigo Sampaio Chiarantano, Flavio Augusto Ferreira da Silva, Pedro de Marchi, Letícia Ferro Leal, Rui M. Reis   +11 more
wiley   +1 more source

Seeking Correlation Among Porin Permeabilities and Minimum Inhibitory Concentrations Through Machine Learning: A Promising Route to the Essential Molecular Descriptors. [PDF]

Molecules
Boi S, Puxeddu S, Delogu I, Farci D, Piano D, Manzin A, Ceccarelli M, Angius F, Scorciapino MA, Milenkovic S.   +9 more
europepmc   +1 more source

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications. [PDF]

J Comput Chem, 2021
Tortorella S, Carosati E, Sorbi G, Bocci G, Cross S, Cruciani G, Storchi L.   +6 more
europepmc   +1 more source

Aggressive prostate cancer is associated with pericyte dysfunction

Molecular Oncology, EarlyView.
Tumor‐produced TGF‐β drives pericyte dysfunction in prostate cancer. This dysfunction is characterized by downregulation of some canonical pericyte markers (i.e., DES, CSPG4, and ACTA2) while maintaining the expression of others (i.e., PDGFRB, NOTCH3, and RGS5).
Anabel Martinez‐Romero, Ane Martinez‐Larrinaga, Joaquim Grego‐Bessa, Saioa Garcia‐Longarte, Hielke van Splunder, Ianire Astobiza, Amaia Ercilla, Laura Bozal‐Basterra, Isabel Mendizabal, Pilar Villacampa, Arkaitz Carracedo, Mariona Graupera   +11 more
wiley   +1 more source

Exploring Molecular Descriptors and Acquisition Functions in Bayesian Optimization for Designing Molecules with Low Hole Reorganization Energy. [PDF]

ACS Omega
Kawagoe R, Ando T, Matsuzawa NN, Maeshima H, Kaneko H.   +4 more
europepmc   +1 more source