Results 21 to 30 of about 8,218,575 (213)

Application of lipophilicity parameters in QSRR analysis of newly synthesized s-triazine derivatives: Prediction of the retention behavior [PDF]

Hemijska Industrija, 2011
Considerable attention has been paid to the analysis of chemicals in the s-triazine group, due to their widespread use in agricultural chemistry and their subsequent impact on biological systems. For initial chemical screening of the activity of newly
Jevrić Lidija R., Jovanović Bratislav Ž., Velimirović Sonja D., Tepić Aleksandra N., Koprivica Gordana B., Mišljenović Nevena M.   +5 more
doaj   +1 more source

Traditional Machine and Deep Learning for Predicting Toxicity Endpoints

Molecules, 2022
Molecular structure property modeling is an increasingly important tool for predicting compounds with desired properties due to the expensive and resource-intensive nature and the problem of toxicity-related attrition in late phases during drug discovery
Ulf Norinder
doaj   +1 more source

Study on Physicochemical Properties of Tailor-Made Green Jet Fuel Blend from Waste Cooking Oil

Chemical Engineering Transactions, 2022
The International Air Transport Association (IATA) intended to reduce the greenhouse gases (GHG) emissions from the aviation industry by 50 % in 2050 compared to the year 2005.
Nor Alafiza Yunus, Zi Hoon Kheoh, Haslenda Hashim   +2 more
doaj   +1 more source

QSPR Model for Regulatory Purpose: from Development to Integration into the QSAR Toolbox

Chemical Engineering Transactions, 2016
Quantitative Structure-Property Relationships (QSPR) are predictive methods of macroscopic properties of substances based on their only molecular structures.
Guillaume Fayet, Patricia Rotureau
doaj   +1 more source

Physico-chemical foundations underpinning microarray and next-generation sequencing experiments [PDF]

, 2013
Hybridization of nucleic acids on solid surfaces is a key process involved in high-throughput technologies such as microarrays and, in some cases, next-generation sequencing (NGS).
Carlon, E, Buhot, A, Hooyberghs, J, Harrison, A., Gamble, LJ, Pozhitkov, A., Pettitt, B., Tautz, D. ; https://orcid.org/, Levicky, Rastislav, Harrison, A, Buhot, A., Carlon, E., Pozhitkov, Alexander E, Gibas, C, Halperin, A, Binder, H, Pettitt, BM, Gamble, L., Noble, P., Hooyberghs, Jef, Harrison, Andrew B., Levicky, R, Pettitt, B. Montgomery, Pozhitkov, AE, Noble, PA, Carlon, Enrico, Halperin, Avraham, Kreil, David P, Levicky, R., Ott, A, Kreil, DP, Tautz, Diethard, Binder, H., Halperin, A., Burden, Conrad John, Gibas, Cynthia, Burden, CJ, Burden, Conrad J, Kreil, David, Hooyberghs, J., Buhot, Arnaud, Gamble, Lara J., Noble, Peter A, Harrison, Andrew, Gamble, Lara J, Tautz, D, Pettitt, B Montgomery, Kreil, D., Ott, A., Binder, Hans, Burden, C., Ott, Albrecht, Pozhitkov, Alexander E., Gibas, C., Noble, Peter A.   +54 more
core   +1 more source

The RMG Database for Chemical Property Prediction [PDF]

, 2022
The RMG-database for chemical property prediction is presented. The RMG-database consists of curated datasets and estimators for accurately predicting parameters necessary for constructing a wide variety of chemical kinetic mechanisms, including ...
William H., Green, Ryan J., Gillis, Matthew S., Johnson, Hao-Wei, Pang, Richard H., West, Colin, Grambow, A. Mark, Payne, Xiaorui, Dong, Yunsie, Chung, Mengjie, Liu, David, Farina, Emily, Mazeau, Alon Grinberg, Dana, C. Franklin, Goldsmith, Nathan W., Yee, Katrin, Blondal, Kevin, Spiekermann   +16 more
core   +1 more source

Risk Assessment of Failure of Outdoor High Voltage Polluted Insulators under Combined Stresses Near Shoreline

Energies, 2017
The aim of this paper is to investigate the various effects of climate conditions on outdoor insulators in coastal areas as a result of saline contamination under acidic and normal cold fog, determining significant electrical and physico-chemical changes
Muhammad Majid Hussain, Shahab Farokhi, Scott G. McMeekin, Masoud Farzaneh   +3 more
doaj   +1 more source

Ground truth explanation dataset for chemical property prediction on molecular graphs [PDF]

, 2022
Interpretation of chemistry on an atomic scale improves with explainable artificial intelligence (XAI). The parts of the molecule with the most significant influence on the chemical property of interest can be visualized with atomwise and bondwise ...
Fang, Liu, Liang, Zhao, Eugen, Hruska
core   +1 more source

Physico-chemical properties of experimental soil.

, 2022
Physico-chemical properties of experimental soil.
Syed Atif Hasan Naqvi (12481637), Muhammad Nadeem Shahid (12481640), Hassan Mehmood (9574947), Haider Sultan (12481634), Shamsher Ali (12481643), Rahul Datta (4229965), Muhammad Arif Ali (6179558), Eman A. Alhomaidi (12481646), Saddam Hussain (3144783), Khurram Shehzad Baig (12481631)   +9 more
core   +1 more source

Proteochemometric modeling of HIV protease susceptibility

BMC Bioinformatics, 2008
Background A major obstacle in treatment of HIV is the ability of the virus to mutate rapidly into drug-resistant variants. A method for predicting the susceptibility of mutated HIV strains to antiviral agents would provide substantial clinical benefit ...
Prusis Peteris, Spjuth Ola, Eklund Martin, Lapins Maris, Wikberg Jarl ES   +4 more
doaj   +1 more source