정량적 구조-속성 관계 접근법을 사용하여 순수 화합물의 가연성 한계(LFL)와 가연성 상한(UFL)의 예측을 위해 두 가지 새롭고 매우 정확한 하이브리드 모델이 개발되었다. 두 모델은 DIPPR Project 801 데이터베이스에서 얻은 데이터 세트를 사용하여 개발되었으며, 이 데이터 세트는 LFL과 UFL에 대한 1057 및 515개의 문헌 데이터로
구성된다. 다중 선형 회귀(MLR), 로그 및 다항식 모델은 MATLAB 소프트웨어를 사용하여 작성된 알고리즘과 코드에 따라 모델을 개발하는 데 사용되었다. 결과는 제안된 모델이 평균 절대 상대편차(AARD) 0.8%; UFL: R² = 99.64%로 문헌에 보고된 최고(즉, 가장 최적화됨)의 정확도로 LFL 및 UFL 값을 예측할 수 있음을 나타냈다.
이러한 하이브리드 모델은 세 가지 기존 방법을 결합한 수정된 수학적 기법을 사용하여 개발되었다는 점에서 독특하다. 이러한 모델은 실용성이 우수하며 광범위한 순수 화합물에 대한 LFL 및 UFL 값의 실험 측정에 대한 비용 효율적인 대안으로 사용될 수 있다.

제 1편 : MATLAB 기본편

1. MATLAB 기본사용편 ···················· 003
1.1 MATLAB 시작하기 ·························· 003
명령창(command Window)에서의 입력 005
도움말(Help)의 이용 ······························· 007
1.2 입력 오류의 수정 ····························· 008
계산의 중지 ·············································· 009
MATLAB 종료하기 ································· 009
1.3 연산과 변수의 할당 ·························· 009
연산자 우선순위 ······································· 011
내장함수 ···················································· 012
1.4 데이터의 표현 ··································· 013
1.5 변수의 처리 ······································· 015
변수 이름 ·················································· 015
clear 명령어 ············································· 016
특수변수와 정수 ······································· 017
whos 명령어 ············································ 017
1.6 벡터와 행렬 ······································· 018
벡터 ··························································· 018
행렬 ·························································· 023
스크린 출력과 억제 ································· 024
1.7 랜덤(Random)수와 복소수 ·············· 025
랜덤 수 ····················································· 025
복소수 ······················································· 027
1.8 기호를 이용한 연산 ·························· 028
기호식에서의 치환 ··································· 029
1.9 코드 파일 ·········································· 030
스크립트 코드 파일 ································· 030
코멘트의 추가 ·········································· 032
함수 코드 파일 ···································· 033
사용자 정의함수 ······································ 036
1.10 간단한 그래프의 생성 ····················· 037
ezplot을 이용한 그래프 ·························· 037
plot을 이용한 그래프 ·························· 039
3차원 그래프 ··········································· 042
1.11 MATLAB과 엑셀(Excel)의 접속 043
엑셀 데이터 불러오기 ····························· 043
데이터 가져오기 옵션 ························· 046
스크립트 생성 옵션 ································· 049
함수 생성 옵션 ········································ 049
생성된 데이터를 엑셀파일로 저장하기 ·· 050


제 2편 : 연구논문
Highly accurate prediction of flammability limits of chemical
compounds using novel integrated hybrid models

1. Introduction 51
2. Materials and method 53
3. Results and discussion 57
4. UFL prediction accuracy and validation 59
5. Conclusion 61
6. References 63