Volume 96; Issue 3

Chemical Biology & Drug Design

Volume 96; Issue 3

1

Multitask deep networks with grid featurization achieve improved scoring performance for proteinâligand binding

Xie, Liangxu, Xu, Lei, Chang, Shan, Xu, Xiaojun, Meng, Li

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 2.17 MB

2020

2

Fingerprintâbased computational models of 5âlipoâoxygenase activating protein inhibitors: Activity prediction and structure clustering

Tu, Guiping, Qin, Zijian, Huo, Donghui, Zhang, Shengde, Yan, Aixia

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 2.63 MB

2020

3

Prediction of survival rate and effect of drugs on cancer patients with somatic mutations of genes: An AIâbased approach

Saurabh, Rochi, Nandi, Sutanu, Sinha, Noopur, Shukla, Mudita, Sarkar, Ram Rup

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 2.62 MB

2020

4

Artificial intelligence and machine learning for protein toxicity prediction using proteomics data

Vishnoi, Shubham, Matre, Himani, Garg, Prabha, Pandey, Shubham Kumar

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 1.93 MB

2020

5

A natural language processing approach based on embedding deep learning from heterogeneous compounds for quantitative structureâactivity relationship modeling

Bouhedjar, Khalid, Boukelia, Abdelbasset, Khorief Nacereddine, Abdelmalek, Boucheham, Anouar, Belaidi, Amine, Djerourou, Abdelhafid

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 1.39 MB

2020

6

Molecular design aided by random forests and synthesis of potent trypanocidal agents as cruzain inhibitors for Chagas disease treatment

Albuquerque, SÃ©rgio, Cianni, Lorenzo, Vita, Daniela, Duque, Carla, Gomes, Ana S. M., Gomes, Paula, Laughton, Charles, LeitÃ£o, Andrei, Montanari, Carlos A., Montanari, Raphael, Ribeiro, Jean F. R., S

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 1.47 MB

2020

7

Spectrum of deep learning algorithms in drug discovery

Piroozmand, Firoozeh, Mohammadipanah, Fatemeh, Sajedi, Hedieh

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 1.24 MB

2020

8

The shape of artificial intelligence: Just a black box?

Edith Chan, A.W.

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 707 KB

2020

9

TMLRpred: A machine learning classification model to distinguish reversible EGFR double mutant inhibitors

Saini, Ravi, Fatima, Shehnaz, Agarwal, Subhash Mohan

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 946 KB

2020

10

Cover Image

Xie, Liangxu, Xu, Lei, Chang, Shan, Xu, Xiaojun, Meng, Li

Journal:

Chemical Biology & Drug Design

Year:

2020

File:

PDF, 951 KB

2020