Results 211 to 220 of about 24,906 (269)

Cheminformatics Approaches to Structure Based Virtual Screening: Methodology Development and Applications

, 2019
Jui‐Hua Hsieh
openalex   +2 more sources

Predictive power of parametric temperature based topological indices with applications in structure property modeling of anti tuberculosis drugs. [PDF]

Sci Rep
Hayat S, Alanazi SJF, Belay MB, Wang S.
europepmc   +1 more source

ChemGraph as an agentic framework for computational chemistry workflows. [PDF]

Commun Chem
Pham TD, Tanikanti A, Keçeli M.
europepmc   +1 more source

Semantic Similarity in Cheminformatics

, 2020
D., Ferreira, João, M., Couto, Francisco   +1 more
openaire   +3 more sources

Journal of Cheminformatics

Journal of Cheminformatics
  +4 more sources

Unraveling diethyl phthalate-induced prostate carcinogenesis: core targets revealed by integrated network toxicology, machine learning, and structural validation. [PDF]

Hum Genomics
Liu H, Jiang J, Tan Y, Yang M, Yang H, Li C.   +5 more
europepmc   +1 more source

AI/ML methodologies and the future-will they be successful in designing the next generation of new chemical entities? [PDF]

J Cheminform
Bienstock RJ.
europepmc   +1 more source

An evaluation of Roluperidone as a promising repurposing candidate for Alzheimer's Disease: A Computational Investigation. [PDF]

PLoS One
Tanjin R, Al-Amin M, Etee JM, Siddika A, Siddiki A, Mahi SI, Toma SN, Akter N, Uddin MH, Bristy NA, Mowlee SI, Rafa EK, Hossen MF.   +12 more
europepmc   +1 more source

Journal of Cheminformatics: I hope the Instructions to the Authors improve

, 2009
Egon Willighagen
openalex   +1 more source

Chemical space as a unifying theme for chemistry. [PDF]

J Cheminform
Reymond JL.
europepmc   +1 more source