Results 171 to 180 of about 11,635 (258)

TOPSIS based multi criteria QSPR modeling of antibiotics using graph theoretic indices. [PDF]

Sci Rep
Hashem AF, Hanif MF, Shafiq A, Alzahrani E.   +3 more
europepmc   +1 more source

First Zagreb energy of self-looped graphs: predictive insights into kidney infection drugs and theoretical bounds. [PDF]

Sci Rep
Yashaswini L, Rakshith BR, Nagaraja P.
europepmc   +1 more source

Information-theoretic entropy and topological descriptor analysis of tin oxide (SnO₂) for structural and property prediction. [PDF]

Sci Rep
Tang JH, Saleem M, Ullah A, Din NU, Zaman S, Ahmad H, Ali P, Belay MB.   +7 more
europepmc   +1 more source

A QSPR study of coronary artery disease drugs using eccentricity-based indices. [PDF]

Sci Rep
Iqbal N, Akhter S, Alraih AM, Iqbal Z, Aslam A, Tola KA.   +5 more
europepmc   +1 more source

Effect of Molecular Descriptors on the Development of Machine Learning Models for the Prediction of Yield Sooting Index. [PDF]

ACS Omega
Wang QD, Du L, Yao Q, Liang J, Wang BY, Zeng P, Xia ZX.   +6 more
europepmc   +1 more source

Mathematical Modeling of H1-Antihistamines: A QSPR Approach Using Topological Indices. [PDF]

ACS Omega
Manuel M, Angamuthu P.
europepmc   +1 more source

Quantitative structure-property relationship modeling and ranking of necrotizing fasciitis drugs via degree-based topological indices. [PDF]

Front Chem
Joy Prisca A, Jaganathan B.
europepmc   +1 more source

NAMs for closing knowledge gaps in assessment of respiratory uptake - a PARC project. [PDF]

Front Toxicol
Billat PA, Hansen T, De Bruijn V, Boufalaas R, Stefano S, Sosnowska A, Kohl Y, Verstraelen S, Camassa LMA, Spänig M, Gabriel C, Sarigiannis D, Krätschmer K, Raitano G, Bulawska N, Ratier A, Zienolddiny-Narui S, Chary A, Serchi T, Viegas S, Mollerup S, Escher SE, Staal YCM.   +22 more
europepmc   +1 more source

Predictive modeling of asthma drug properties using machine learning and topological indices in a MATLAB based QSPR study. [PDF]

Sci Rep
Bayati JHH, Mahboob A, Amin L, Rasheed MW, Alameri A.   +4 more
europepmc   +1 more source

Exploring QSPR in breast cancer drugs via entire neighborhood indices and regression models. [PDF]

Sci Rep
Altassan A, Saleh A, Alashwali H, Hamed M, Muthana N.   +4 more
europepmc   +1 more source