The effects of cinnamaldehyde and eugenol on human adipose-derived mesenchymal stem cells viability, growth and differentiation: a cheminformatics and in vitro study by Abdorrahim Absalan, Seyed Alireza Mesbah-Namin, Taki Tiraihi, Taher Taheri

“…Objective: The aim of this study was to estimate the cheminformatics and qualitative structure-activity relationship (QSAR) of cinnamaldehyde and eugenol. …”
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Fragment reweighting in ligand-based virtual screening / by Ali Ahmed Alfakiabdalla Abdelrahim, 1974-, author, Naomie Salim, supervisor, Fakulti Kejuruteraan. Sekolah Komputeran

Subjects: “…Cheminformatics…”

Fragment reweighting in ligand-based virtual screening [electronic resource] / by Ali Ahmed Alfakiabdalla Abdelrahim, 1974-

Subjects: “…Cheminformatics…”

Chemoinformatics for drug discovery / by editor

Subjects: “…Cheminformatics…”

Advances in intelligent systems / by Gaol, Ford Lumban, editor

Subjects:

CHEMICAL TECHNOLOGY AND INFORMATICS IN CHEMISTRY WITH APPLICATIONS / by Vakhrushev, Alexander V., editor, Mukbaniani, O. V. (Omar V.), editor, Susanto, Heru, 1977-, editor

Subjects:

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching by Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomáš Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain Torrance, Chris T. Evelo, Rajarshi Guha, Christoph Steinbeck

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Identification of Branched and Linear Forms of PFOA and Potential Precursors: A User-Friendly SMILES Structure-based Approach by Ann M. Richard, Hannah Hidle, Grace Patlewicz, Antony J. Williams

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In-silico study of the Effectiveness of Allium sativum L. extract as an Angiotensin-Converting Enzyme (ACE) Inhibitor in Hypertension by Agus Limanto, Elma Eka Fitra Husain, Anna Maria Dewajanti

Subjects: “…ace inhibitors, cheminformatics, garlic, hypertension…”
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Sense of achievement by Markus Knaden, Bill S Hansson

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Computer-Aided Methods for Molecular Classification by Alina Bărbulescu, Lucica Barbeș, Cristian Ștefan Dumitriu

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Expanding the olfactory code by in silico decoding of odor-receptor chemical space by Sean Michael Boyle, Shane McInally, Anandasankar Ray

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Calculation of exact Shapley values for support vector machines with Tanimoto kernel enables model interpretation by Christian Feldmann, Jürgen Bajorath

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ML meets MLn: Machine learning in ligand promoted homogeneous catalysis by Jonathan D. Hirst, Samuel Boobier, Jennifer Coughlan, Jessica Streets, Philippa L. Jacob, Oska Pugh, Ender Özcan, Simon Woodward

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Profiling the antidepressant properties of phenyl piperidine derivatives as inhibitors of serotonin transporter (SERT) via cheminformatics modeling, molecular docking and ADMET predictions. by Sabitu Babatunde Olasupo, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba

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Taiwan Controlled Substances Database by Yung-Wen Huang, Olivia A. Lin, Bo-Han Su, Ping-Han Hsieh, Ming-Yang Ho, Tien-Chueh Kuo, Yufeng Jane Tseng

Subjects: “…Cheminformatics…”
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Seafood Paramyosins as Sources of Anti-Angiotensin-Converting-Enzyme and Anti-Dipeptidyl-Peptidase Peptides after Gastrointestinal Digestion: A Cheminformatic Investigation by Tsun-Thai Chai, Clara Chia-Ci Wong, Mohamad Zulkeflee Sabri, Fai-Chu Wong

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Unveiling the Potent Antiviral and Antioxidant Activities of an Aqueous Extract from <i>Caesalpinia mimosoides</i> Lamk: Cheminformatics and Molecular Docking Approaches by Anuwatchakij Klamrak, Jaran Nabnueangsap, Jaraspim Narkpuk, Yutthakan Saengkun, Piyapon Janpan, Napapuch Nopkuesuk, Arunrat Chaveerach, Samaporn Teeravechyan, Shaikh Shahinur Rahman, Theerawat Dobutr, Poramet Sitthiwong, Pornsuda Maraming, Natsajee Nualkaew, Nisachon Jangpromma, Rina Patramanon, Sakda Daduang, Jureerut Daduang

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Exploring the Potential of Black Soldier Fly Larval Proteins as Bioactive Peptide Sources through in Silico Gastrointestinal Proteolysis: A Cheminformatic Investigation by Fai-Chu Wong, You-Han Lee, Joe-Hui Ong, Fazilah Abd Manan, Mohamad Zulkeflee Sabri, Tsun-Thai Chai

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Exploring the potential of black soldier fly larval proteins as bioactive peptide sources through in silico gastrointestinal proteolysis: A cheminformatic investigation by Wong, Fai-Chu, Lee, You-Han, Ong, Joe-Hui, Abd. Manan, Fazilah, Sabri, Mohamad Zulkeflee, Chai, Tsun-Thai

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