Results 141 to 150 of about 11,633 (209)

Optimization model for predicting quantum theoretic characteristics of hexagonal systems using temperature dependent graph theoretic estimators. [PDF]

Sci Rep
Huang Y, Hayat S, Tuah N, Khan A, Zhong Y, Alenazi MJF.   +5 more
europepmc   +1 more source

Prediction of Standard Combustion Enthalpy of Organic Compounds Combining Machine Learning and Chemical Graph Theory: A Strategy. [PDF]

ACS Omega
Saviñon-Flores F, Arzola-Flores JA, García-Castro MA, Díaz-Sánchez F, Vidal Robles E, Maruri Valderrabano FA.   +5 more
europepmc   +1 more source

SAGE-prot: scoring-assisted generative exploration for multi-objective protein design. [PDF]

Brief Bioinform
Lim H, Lee GH, Cho H, No KT.
europepmc   +1 more source

Artificial Intelligence and Machine Learning for Environmental Health Study. [PDF]

Environ Health (Wash)
Yu M, Fang M, Tian Z, Wang B, Walker D.
europepmc   +1 more source

Computational analysis of metal organic framework and covalent organic framework using degree based topological indices with QSPR validation. [PDF]

Sci Rep
Tu Y, Yousaf S, Tariq S, Tawfiq FM, Aslam A, Tola KA.   +5 more
europepmc   +1 more source

Quantitative structure property relationship and multiattribute decision analysis of antianginal drugs using topological indices. [PDF]

Sci Rep
Rasheed MW, Mahboob A, Ovais A, Shabbir N, Alameri A.   +4 more
europepmc   +1 more source

QSPR graph model to explore physicochemical properties of potential antiviral drugs of dengue disease through novel coloring-based topological indices. [PDF]

Front Chem
Yogalakshmi C, Balamurugan BJ.
europepmc   +1 more source

QSPR and QSTR analysis to explore pharmacokinetic and toxicity properties of antifungal drugs through topological descriptors. [PDF]

Sci Rep
Tamilarasi W, Balamurugan BJ.
europepmc   +1 more source

Computational insights and study of drugs for dry eye disease through QSPR and MCDM approaches using topological indices. [PDF]

Sci Rep
M C S, B K, A U, K C S.
europepmc   +1 more source