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How to Predict the pKa of Any Compound in Any Solvent
A Laboratory-Specific Scaling Factor to Predict the In Vivo Human Clearance of Aldehyde Oxidase Substrates | Drug Metabolism & Disposition
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Frontiers | Ion Mobility Coupled to a Time-of-Flight Mass Analyzer Combined With Fragment Intensity Predictions Improves Identification of Classical Bioactive Peptides and Small Open Reading Frame-Encoded Peptides
Enantiospecific antitrypanosomal in vitro activity of eflornithine | PLOS Neglected Tropical Diseases
Predicting protein stability and solubility changes upon mutations: data perspective - Mazurenko - 2020 - ChemCatChem - Wiley Online Library
3D printing of biomass-derived composites: application and characterization approaches - RSC Advances (RSC Publishing) DOI:10.1039/D0RA03620J
Prediction and Classification of Formation Energies of Binary Compounds by Machine Learning: An Approach without Crystal Structure Information | ACS Omega
A simple predictive model for estimating relative e-cigarette toxic carbonyl levels | PLOS ONE
ACS Omega impact factor and citations: scientometric... | Exaly
IJMS | Free Full-Text | Recent Studies of Artificial Intelligence on In Silico Drug Distribution Prediction
Machine learning-based solubility prediction and methodology evaluation of active pharmaceutical ingredients in industrial crystallization | SpringerLink
Exploring the octanol–water partition coefficient dataset using deep learning techniques and data augmentation | Communications Chemistry
GMD - Predicting peak daily maximum 8 h ozone and linkages to emissions and meteorology in Southern California using machine learning methods (SoCAB-8HR V1.0)
Molecules | Free Full-Text | Energy Level Prediction of Organic Semiconductors for Photodetectors and Mining of a Photovoltaic Database to Search for New Building Units
Frontiers | In silico Designing of an Epitope-Based Vaccine Against Common E. coli Pathotypes
Frontiers | PepVAE: Variational Autoencoder Framework for Antimicrobial Peptide Generation and Activity Prediction
Molecules | Free Full-Text | Simultaneous Predictions of Chemical and Phase Equilibria in Systems with an Esterification Reaction Using PC-SAFT
ACS Omega
Biomarker-Based Prediction of Recurrent Ischemic Events in Patients With Acute Coronary Syndromes - ScienceDirect
Online Predictor Using Machine Learning to Predict Novel Coronavirus and Other Pathogenic Viruses | ACS Omega
OA Journals - ACS Open Science
A primer on artificial intelligence in plant digital phenomics: embarking on the data to insights journey: Trends in Plant Science
Density Functional Theory and Machine Learning Description and Prediction of Oxygen Atom Chemisorption on Platinum Surfaces and Nanoparticles | ACS Omega
PDF) Research on the Influencing Factors and Prediction Model of Impact Airflow in the Process of Unloading of an Ore Pass Based on a Coupled Computational Fluid Dynamics and Discrete Element Method
Prediction and evaluation of fuel properties of hydrochar from waste solid biomass: Machine learning algorithm based on proposed PSO–NN model - ScienceDirect