Results 131 to 140 of about 14,133 (217)

VizChemoton: Visualization of Quantum Chemical Reaction Networks and Their Cheminformatics Features. [PDF]

J Chem Inf Model
Petrus E, Garay-Ruiz D, Weymuth T, Reiher M, Hofstetter TB.   +4 more
europepmc   +1 more source

Helping to improve the practice of cheminformatics [PDF]

Journal of Cheminformatics, 2017
Rajarshi Guha, Egon L. Willighagen
openaire   +4 more sources

Could nucleocapsid be a next-generation COVID-19 vaccine candidate?

International Journal of Infectious Diseases, 2022
Bryan Saldivar-Espinoza, Guillem Macip, Gerard Pujadas, Santiago Garcia-Vallve   +3 more
doaj   +1 more source

ADMET property prediction and toxicity profiling of CDK2 inhibitors: a practical cheminformatics tutorial using ADMET-AI 2.0 and RDKit. [PDF]

J Cheminform
Ogungbemiro FO, Anebi JO, Okunlola FO, Onyekwere LA, Pereira EMM.   +4 more
europepmc   +1 more source

ChemLint: Conversational Cheminformatics with Large Language Models. [PDF]

J Chem Inf Model
van Tilborg D, Grisoni F.
europepmc   +1 more source

Bioactivity score of the six dual-active alkaloids evaluated by Molinspiration cheminformatics tool.

Bioactivity score of the six dual-active alkaloids evaluated by Molinspiration cheminformatics tool.
Iqra Ahmad (17471892), Haq Nawaz (63419), Sheheryar (12259148), Mohibullah Shah (1590358), Riaz Ullah (5547797), Ke Chen (73307), Amen Shamim (10008107), Essam A. Ali (14000319), Umar Nishan (571108), Gang Wu (23885), Ramsha Yamin (17768636), Zainab Jahangir (17768639)   +11 more
core   +1 more source

Computational applications in secondary metabolite discovery (CAiSMD) 2026: focus on secondary metabolites towards drug discovery. [PDF]

J Cheminform
Ntie-Kang F, Betow JY, Eni DB, Metuge JA, Adriano A, Chama MA, Bamal HD, Kedi PBE, Campos LM, Abdullahi AS, Medina GFF, Mbeket SBN, Adekunle YA, Carvalho ARV, Akamba BDA, Dare CA, Mtulo YB, López-López E, Djoumbou-Feunang Y, Metuge CS, Ndamo S, Shadrack DM, Diallo BN, Bekono BD, Valli M, Mbah JA, Sabiu S, Egieyeh SA, Medina-Franco JL, Ludwig-Müller J.   +29 more
europepmc   +1 more source

Accelerated Synthesis of Novel Indole-3-Sulfonamides Leveraging High-Throughput Experimentation. [PDF]

ACS Med Chem Lett
Bercher OP, Lupinacci K, Breslin MJ, El Marrouni A.   +3 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

χ-SOM: emergent self-organizing maps for large chemical space visualization. [PDF]

J Cheminform
Kaminski J, Koch O.
europepmc   +1 more source