Ai-Ping Lu

According to our database1, Ai-Ping Lu authored at least 24 papers between 2018 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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Article 
PhD thesis 
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Links

On csauthors.net:

Bibliography

2023
In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences.
J. Cheminformatics, December, 2023

Improved GNNs for Log <i>D</i><sub>7.4</sub> Prediction by Transferring Knowledge from Low-Fidelity Data.
J. Chem. Inf. Model., April, 2023

Reducing false positive rate of docking-based virtual screening by active learning.
Briefings Bioinform., January, 2023

Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches.
J. Chem. Inf. Model., 2023

2022
DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety.
Nucleic Acids Res., 2022

TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine.
J. Cheminformatics, 2022

Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes.
J. Cheminformatics, 2022

2021
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties.
Nucleic Acids Res., 2021

Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion.
J. Cheminformatics, 2021

Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors.
Briefings Bioinform., 2021

PySmash: Python package and individual executable program for representative substructure generation and application.
Briefings Bioinform., 2021

Scopy: an integrated negative design python library for desirable HTS/VS database design.
Briefings Bioinform., 2021

ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds.
Briefings Bioinform., 2021

Improving structure-based virtual screening performance via learning from scoring function components.
Briefings Bioinform., 2021

Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules.
Briefings Bioinform., 2021

QSAR-assisted-MMPA to expand chemical transformation space for lead optimization.
Briefings Bioinform., 2021

BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study.
Briefings Bioinform., 2021

2020
Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring.
J. Chem. Inf. Model., 2020

Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays.
J. Chem. Inf. Model., 2020

Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis.
J. Chem. Inf. Model., 2020

2019
Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery.
J. Chem. Inf. Model., 2019

2018
HAMdb: a database of human autophagy modulators with specific pathway and disease information.
J. Cheminformatics, 2018

PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions.
J. Cheminformatics, 2018

ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database.
J. Cheminformatics, 2018


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