Results 231 to 240 of about 24,906 (269)

Special Issue "Natural Compounds: Advances in Antimicrobial Activity". [PDF]

Int J Mol Sci
Genovese C, Pegreffi F.
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Chemical significance and degeneracy of weighted degree-based topological descriptor second Davan index for octane isomers and computation of certain nanostructures. [PDF]

Sci Rep
Swapna BS, Chetana G, Shanmukha MC, Manjunath G, Usha A.   +4 more
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Regional Explanations and Diverse Molecular Representations in Cheminformatics: A Comparative Study

Xin Wang, Amanda S. Barnard, Sichao Li
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Computational and experimental insights into the interaction of the seaweed-derived steroidal metabolite 11α-hydroxyprogesterone with the glucocorticoid receptor. [PDF]

Comput Struct Biotechnol J
Sermsakulwat S, Jaikaew P, Napiroon T, Surarit W, Traijitt T, Charoenrat T, Nutho B, Thong-Olran A, Chittapun S.   +8 more
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Predicting the critical micelle concentration of binary surfactant mixtures using machine learning. [PDF]

J Cheminform
Choudhary A, Desai S, Kamruzzaman M, Landera A, Ghosh K, Poorey K.   +5 more
europepmc   +1 more source

A meta-learning framework to mitigate negative transfer in transfer learning applicable to drug design. [PDF]

Sci Rep
Mera A, Vogt M, Bajorath J.
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Artificial intelligence and cheminformatics tools: a contribution to the drug development and chemical science

Journal of Biomolecular Structure and Dynamics, 2023
In the ever-evolving field of drug discovery, the integration of Artificial Intelligence (AI) and Machine Learning (ML) with cheminformatics has proven to be a powerful combination.
Ifra Saifi, B. Bhat, Syed S. Hamdani, Umar Yousuf Bhat, Carlos Alberto Lobato-Tapia, M. Mir, T. Dar, S. Ganie   +7 more
semanticscholar   +1 more source