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Advancing predictive modeling in computational chemistry through quantum chemistry, molecular mechanics, and machine learning.

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Title: Advancing predictive modeling in computational chemistry through quantum chemistry, molecular mechanics, and machine learning.
Authors: Rowaiye, Adekunle B.1 (AUTHOR) adekunlerowaiye@gmail.com, Folarin, Abiodun Abidemi2 (AUTHOR), Akingbade, Tobilola1 (AUTHOR), Okoli, Joy C.1 (AUTHOR), Rowaiye, Oluwabukunmi Ifedamola3 (AUTHOR), Folorunso, Temitope Ruth4 (AUTHOR), Bur, Doofan5 (AUTHOR)
Source: Discover Chemistry. Dec2025, Vol. 2 Issue 1, p1-23. 23p.
Database: Academic Search Ultimate
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An: 191838263
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  Data: Advancing predictive modeling in computational chemistry through quantum chemistry, molecular mechanics, and machine learning.
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  Data: <searchLink fieldCode="AR" term="%22Rowaiye%2C+Adekunle+B%2E%22">Rowaiye, Adekunle B.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> adekunlerowaiye@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Folarin%2C+Abiodun+Abidemi%22">Folarin, Abiodun Abidemi</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Akingbade%2C+Tobilola%22">Akingbade, Tobilola</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Okoli%2C+Joy+C%2E%22">Okoli, Joy C.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Rowaiye%2C+Oluwabukunmi+Ifedamola%22">Rowaiye, Oluwabukunmi Ifedamola</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Folorunso%2C+Temitope+Ruth%22">Folorunso, Temitope Ruth</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Bur%2C+Doofan%22">Bur, Doofan</searchLink><relatesTo>5</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Discover+Chemistry%22">Discover Chemistry</searchLink>. Dec2025, Vol. 2 Issue 1, p1-23. 23p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=191838263
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s44371-025-00363-0
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      – Code: eng
        Text: English
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        PageCount: 23
        StartPage: 1
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      – TitleFull: Advancing predictive modeling in computational chemistry through quantum chemistry, molecular mechanics, and machine learning.
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            NameFull: Folarin, Abiodun Abidemi
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            NameFull: Okoli, Joy C.
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            NameFull: Rowaiye, Oluwabukunmi Ifedamola
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            – D: 01
              M: 12
              Text: Dec2025
              Type: published
              Y: 2025
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            – TitleFull: Discover Chemistry
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